SCHEMBL16321781

SCHEMBL16321781

CC(C)(C)OC(=O)N1CCCC(n2c(=O)[nH]c3c(N)ncnc32)C1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 5/20 0.49
▸ EGFR P00533 3/20 0.49
▸ ABL1 P00519 2/20 0.46
▸ ABL2 P42684 2/20 0.46
▸ BTK Q06187 5/20 0.45
▸ HCAR1 Q9BXC0 1/20 0.44
▸ PIK3CD O00329 1/20 0.41
▸ GPR119 Q8TDV5 1/20 0.41
▸ TEC P42680 1/20 0.41
▸ HPGDS O60760 1/20 0.41
▸ RET P07949 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ PIK3CA P42336 1/20 0.40
▸ BACE1 P56817 2/20 0.40
▸ TGFBR1 P36897 1/20 0.40
▸ CTSD P07339 1/20 0.40

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
SCHEMBL16321782 1.00 SRC (0.49) SRCEGFRABL1ABL2BTK
SCHEMBL15145742 0.94 SRC (0.55) SRCEGFRABL1ABL2HCAR1
SCHEMBL15156055 0.94 SRC (0.55) SRCEGFRABL1ABL2HCAR1
SCHEMBL14798023 0.91 SRC (0.48) SRCEGFRABL1ABL2PIK3CD
SCHEMBL31626196 0.91 SRC (0.48) SRCEGFRABL1ABL2PIK3CD
SCHEMBL28881338 0.88 SRC (0.50) SRCEGFRABL1ABL2HCAR1
SCHEMBL30760868 0.86 SRC (0.47) SRCEGFRABL1ABL2PIK3CD
SCHEMBL30760919 0.86 SRC (0.47) SRCEGFRABL1ABL2PIK3CD
SCHEMBL30760914 0.86 SRC (0.47) SRCEGFRABL1ABL2PIK3CD
SCHEMBL30760832 0.86 SRC (0.47) SRCEGFRABL1ABL2PIK3CD

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3643716-B1 HETEROARYL COMPOUND HAVING PHARMACEUTICAL ACTIVITY SHANGHAI DUDE MEDICAL TECH CO LTD (CN) 2022-05-04 — — EP disclosed
CN-109111446-B Heteroaryl compound with pharmaceutical activity 上海度德医药科技有限公司 2021-11-30 — — CN disclosed
EP-3643716-A1 HETEROARYL COMPOUND HAVING PHARMACEUTICAL ACTIVITY Shanghai Dude Medical Technology Co., Ltd (CN) 2020-04-29 — — EP disclosed
US-20200123156-A1 HETEROARYL COMPOUND HAVING DRUG ACTIVITY SHANGHAI DUDE MEDICAL TECHNOLOGY CO., LTD 2020-04-23 — — US disclosed
EP-3147285-A2 PURINONE COMPOUNDS AS KINASE INHIBITORS Pharmacyclics, Inc. (US) 2017-03-29 — — EP disclosed
US-20160368924-A1 PURINONE COMPOUNDS AS KINASE INHIBITORS PHARMACYCLICS, INC. 2016-12-22 — — US disclosed
US-9469642-B2 Purinone compounds as kinase inhibitors PHARMACYCLICS LLC (US) 2016-10-18 — — US disclosed
US-20140378446-A1 PURINONE COMPOUNDS AS KINASE INHIBITORS PHARMACYCLICS, INC. (US) 2014-12-25 — — US 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 (3 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-20200123156-A1 HETEROARYL COMPOUND HAVING DRUG ACTIVITY BTK, LYN, LCK SRC 7/4885EGFR 747/4885ABL1 5/4885
US-20160368924-A1 PURINONE COMPOUNDS AS KINASE INHIBITORS BTK, LCK, BCL9 SRC 19/4885EGFR 1723/4885ABL1 18/4885
US-20140378446-A1 PURINONE COMPOUNDS AS KINASE INHIBITORS BTK, LCK, BCL9 SRC 19/4885EGFR 1723/4885ABL1 18/4885

“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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