SCHEMBL16143648

SCHEMBL16143648

O=C(O)N1CC[C@@H](n2c(=O)[nH]c3c(N(Cc4ccccc4)Cc4ccccc4)ncnc32)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ PIK3CB P42338 1/20 0.38
▸ PIK3CG P48736 1/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ BTK Q06187 5/20 0.37
▸ LCK P06239 2/20 0.35
▸ CALCRL Q16602 1/20 0.35
▸ MAPT P10636 3/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ OPRL1 P41146 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ BCHE P06276 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ ERBB2 P04626 1/20 0.34
▸ TEC P42680 1/20 0.34
▸ TXK P42681 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20480742 1.00 PIK3CD (0.38) PIK3CDPIK3CAPIK3CBPIK3CGNPSR1
SCHEMBL15155889 0.94 EGFR (0.39) PIK3CDPIK3CAPIK3CBPIK3CGNPSR1
SCHEMBL15711178 0.88 JAK2 (0.49) PIK3CDBTK
SCHEMBL28076558 0.86 CALCRL (0.40) CALCRLOPRM1OPRK1OPRL1BCHE
SCHEMBL28076562 0.86 CALCRL (0.40) CALCRLOPRM1OPRK1OPRL1BCHE
SCHEMBL29487294 0.86 BTK (0.38) NPSR1KDM4EBTKLCKOPRK1
SCHEMBL25167958 0.85 NPSR1 (0.41) NPSR1KDM4EMAPTOPRM1OPRK1
SCHEMBL16341186 0.83 HTR6 (0.46) BTKBCHE
SCHEMBL15171260 0.83 HTR6 (0.46) BTKBCHE
SCHEMBL14797959 0.83 JAK1 (0.42) PIK3CDACHE

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 61 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240216380-A1 BTK Inhibitors to Treat Solid Tumors Through Modulation of the Tumor Microenvironment ACERTA PHARMA BV (NL) 2024-07-04 — — US disclosed
US-20240197742-A1 Therapeutic Combinations of a CD19 Inhibitor and a BTK Inhibitor ACERTA PHARMA BV (NL) 2024-06-20 — — US disclosed
US-11897885-B2 Purinone derivative hydrochloride ONO PHARMACEUTICAL CO., LTD. (JP) 2024-02-13 — — US disclosed
US-11654143-B2 Therapeutic combinations of a BTK inhibitor, a PI3K inhibitor, a JAK-2 inhibitor, and/or a BCL-2 inhibitor ACERTA PHARMA B.V. (NL) 2023-05-23 — — US disclosed
CN-115304606-A Degradation agent for simultaneously targeting BTK and GSPT1 proteins 清华大学 2022-11-08 — — CN disclosed
US-20220177474-A1 PURINONE DERIVATIVE HYDROCHLORIDE ONO PHARMACEUTICAL CO., LTD. (JP) 2022-06-09 — — US disclosed
US-11292795-B2 Purinone derivative hydrochloride ONO PHARMACEUTICAL CO., LTD. (JP) 2022-04-05 — — US disclosed
US-20210346382-A1 BTK Inhibitors to Treat Solid Tumors Through Modulation of the Tumor Microenvironment ACERTA PHARMA BV (NL) 2021-11-11 — — US disclosed
US-11166951-B2 Therapeutic combinations of a BTK inhibitor, a PI3K inhibitor, a JAK-2 inhibitor, and/or a BCL-2 inhibitor ACERTA PHARMA B.V. (NL) 2021-11-09 — — US disclosed
US-11154554-B2 Therapeutic combinations of a MEK inhibitor and a BTK inhibitor Acera Pharma B.V. (NL) 2021-10-26 — — US disclosed
US-9371325-B2 Purinone derivative hydrochloride ONO PHARMACEUTICAL CO., LTD. (JP) 2016-06-21 — — US disclosed
WO-2016024230-A1 THERAPEUTIC COMBINATIONS OF A BTK INHIBITOR, A PI3K INHIBITOR, A JAK-2 INHIBITOR, AND/OR A BCL-2 INHIBITOR ACERTA PHARMA B.V. (NL) 2016-02-18 — — WO disclosed
WO-2016024228-A1 THERAPEUTIC COMBINATIONS OF A BTK INHIBITOR, A PI3K INHIBITOR, A JAK-2 INHIBITOR, A PD-1 INHIBITOR AND/OR A PD-L1 INHIBITOR ACERTA PHARMA B.V. (NL) 2016-02-18 — — WO disclosed
WO-2016024227-A1 BTK INHIBITORS TO TREAT SOLID TUMORS THROUGH MODULATION OF THE TUMOR MICROENVIRONMENT ACERTA PHARMA B.V. (NL) 2016-02-18 — — WO disclosed
WO-2016024232-A1 THERAPEUTIC COMBINATIONS OF A BTK INHIBITOR, A PI3K INHIBITOR, A JAK-2 INHIBITOR AND/OR A CDK 4/6 INHIBITOR ACERTA PHARMA B.V. (NL) 2016-02-18 — — WO disclosed
WO-2016024231-A1 THERAPEUTIC COMBINATIONS OF A BTK INHIBITOR, A PI3K INHIBITOR, A JAK-2 INHIBITOR, A PD-1 INHIBITOR AND/OR A PD-L1 INHIBITOR ACERTA PHARMA B.V. (NL) 2016-02-18 — — WO disclosed
US-9199997-B2 Purinone derivative hydrochloride ONO PHARMACEUTICAL CO., LTD. (JP) 2015-12-01 — — US disclosed
US-20150274731-A1 PURINONE DERIVATIVE HYDROCHLORIDE ONO PHARMACEUTICAL CO (JP) 2015-10-01 — — US disclosed
US-20140330015-A1 PURINONE DERIVATIVE HYDROCHLORIDE ONO PHARMACEUTICAL CO., LTD (JP) 2014-11-06 — — US disclosed
EP-2786996-A1 PURINONE DERIVATIVE HYDROCHLORIDE ONO Pharmaceutical Co., Ltd. (JP) 2014-10-08 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140330015-A1 PURINONE DERIVATIVE HYDROCHLORIDE BTK, P2RY1, P2RY13 PIK3CD 433/4885PIK3CA 448/4885PIK3CB 276/4885
US-11292795-B2 Purinone derivative hydrochloride BTK, P2RY1, P2RY13 PIK3CD 433/4885PIK3CA 448/4885PIK3CB 276/4885
US-11166951-B2 Therapeutic combinations of a BTK inhibitor, a PI3K inhibitor, a JAK-2 inhibitor, and/or a BCL-2 inhibitor BTK, JAK2, BCL9 PIK3CD 10/4885PIK3CA 33/4885PIK3CB 31/4885
US-20220177474-A1 PURINONE DERIVATIVE HYDROCHLORIDE BTK, P2RY1, P2RY13 PIK3CD 433/4885PIK3CA 448/4885PIK3CB 276/4885
US-11154554-B2 Therapeutic combinations of a MEK inhibitor and a BTK inhibitor BTK, BRAF, LCK PIK3CD 79/4885PIK3CA 44/4885PIK3CB 107/4885
US-20150274731-A1 PURINONE DERIVATIVE HYDROCHLORIDE BTK, P2RY1, P2RY13 PIK3CD 433/4885PIK3CA 448/4885PIK3CB 276/4885
US-11897885-B2 Purinone derivative hydrochloride BTK, P2RY1, P2RY13 PIK3CD 433/4885PIK3CA 448/4885PIK3CB 276/4885
US-20240216380-A1 BTK Inhibitors to Treat Solid Tumors Through Modulation of the Tumor Microenvironment BTK, LYN, SYK PIK3CD 315/4885PIK3CA 304/4885PIK3CB 248/4885
US-11654143-B2 Therapeutic combinations of a BTK inhibitor, a PI3K inhibitor, a JAK-2 inhibitor, and/or a BCL-2 inhibitor BTK, JAK2, BCL9 PIK3CD 10/4885PIK3CA 33/4885PIK3CB 31/4885
US-20240197742-A1 Therapeutic Combinations of a CD19 Inhibitor and a BTK Inhibitor BTK, CD274, BCL9 PIK3CD 190/4885PIK3CA 200/4885PIK3CB 206/4885
US-20210346382-A1 BTK Inhibitors to Treat Solid Tumors Through Modulation of the Tumor Microenvironment BTK, LYN, SYK PIK3CD 315/4885PIK3CA 304/4885PIK3CB 248/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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