Sugi Predict

Sugi Predict / Compounds / SCHEMBL4245328

SCHEMBL4245328

SCHEMBL4245328

CC1(C)OC(c2ccc(N)nc2)OC1(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 4/20 0.42
▸ DRD3 P35462 4/20 0.42
▸ NOS3 P29474 1/20 0.41
▸ NOS2 P35228 1/20 0.41
▸ DRD4 P21917 1/20 0.38
▸ TNKS O95271 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ GABRP O00591 2/20 0.32
▸ GABRD O14764 2/20 0.32
▸ GABRA1 P14867 2/20 0.32
▸ GABRB1 P18505 2/20 0.32
▸ GABRG2 P18507 2/20 0.32
▸ GABRB3 P28472 2/20 0.32
▸ GABRA5 P31644 2/20 0.32
▸ GABRA3 P34903 2/20 0.32
▸ GABRA2 P47869 2/20 0.32
▸ GABRB2 P47870 2/20 0.32
▸ GABRA4 P48169 2/20 0.32

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
SCHEMBL9946160 0.79 TNKS (0.36) TNKSHDAC1HDAC6
SCHEMBL9941232 0.79 TNKS (0.31) TNKSMAP4K4
SCHEMBL9946158 0.78 CYP2A6 (0.33) —
SCHEMBL12502375 0.76 HCAR3 (0.40) NNMT
SCHEMBL13534294 0.76 DRD2 (0.46) DRD2DRD3NOS3NOS2DRD4
SCHEMBL17863581 0.75 MAPK1 (0.37) SMN1; SMN2
SCHEMBL16776505 0.74 TRPV4 (0.43) —
SCHEMBL15446196 0.73 NOS3 (0.43) NOS3NOS2KDM4EGABRPGABRD
SCHEMBL17863623 0.73 PIK3CA (0.31) —
SCHEMBL12241915 0.72 PIK3R1 (0.31) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3768269-B1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2025-08-20 — — EP disclosed
US-12180221-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-12-31 — — US disclosed
US-20230078764-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2023-03-16 — — US disclosed
US-20220298168-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2022-09-22 — — US disclosed
CN-114174273-A Compounds and uses thereof 优曼尼蒂治疗公司 2022-03-11 — — CN disclosed
EP-3941908-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2022-01-26 — — EP disclosed
CN-112312913-A Compounds and uses thereof 优曼尼蒂治疗公司 2021-02-02 — — CN disclosed
EP-3768269-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2021-01-27 — — EP disclosed
US-20200317617-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2020-10-08 — — US disclosed
WO-2020198026-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-10-01 — — WO disclosed
CN-101027305-A Fused heterocyclic kinase inhibitors BRISTOL MYERS SQUIBB CO (US) 2007-08-29 — — CN disclosed
CN-101005843-A Pyrrolotriazine kinase inhibitors BRISTOL MYERS SQUIBB CO (US) 2007-07-25 — — CN disclosed
EP-1768983-A2 FUSED HETEROCYCLIC KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2007-04-04 — — EP disclosed
EP-1761268-A2 PYRROLOTRIAZINE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2007-03-14 — — EP disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 — — US disclosed
US-20060211695-A1 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-09-21 — — US disclosed
WO-2006004636-A2 FUSED HETEROCYCLIC KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-01-12 — — WO disclosed
WO-2006004833-A2 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-01-12 — — WO disclosed
US-20060004006-A1 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-01-05 — — US disclosed
US-20050288290-A1 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-12-29 — — 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 (7 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-20050288290-A1 Fused heterocyclic kinase inhibitors MAP3K20, MAP3K19, ABL1 DRD2 4804/4885DRD3 4799/4885NOS3 1540/4885
US-20230078764-A1 COMPOUNDS AND USES THEREOF NLN, BDNF, NQO1 DRD2 2063/4885DRD3 2709/4885NOS3 719/4885
US-20060004006-A1 Pyrrolotriazine kinase inhibitors MAP3K5, MAP3K15, MAP4K2 DRD2 4183/4885DRD3 4478/4885NOS3 2310/4885
US-20060211695-A1 Fused heterocyclic kinase inhibitors MAP3K20, MAP3K19, ABL1 DRD2 4804/4885DRD3 4799/4885NOS3 1540/4885
US-20220298168-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 DRD2 1423/4885DRD3 1704/4885NOS3 1175/4885
US-12180221-B2 Compounds and uses thereof NLN, ACHE, CLN6 DRD2 1423/4885DRD3 1704/4885NOS3 1175/4885
US-20200317617-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 DRD2 3422/4885DRD3 3633/4885NOS3 3303/4885

“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.