SCHEMBL13199604

SCHEMBL13199604

CC(=O)c1cc(C)cnc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.52
NOS1 P29475 1/20 0.52
NOS2 P35228 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.42
PIK3CB P42338 1/20 0.41
PARP1 P09874 1/20 0.40
IKBKB O14920 1/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
GABRA4 P48169 1/20 0.39
GABRE P78334 1/20 0.39
GABRA6 Q16445 1/20 0.39

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
SCHEMBL8171684 0.84 NOS3 (0.52) NOS3NOS1NOS2SMN1; SMN2PIK3CB
SCHEMBL31332287 0.84 NOS3 (0.52) NOS3NOS1NOS2SMN1; SMN2PIK3CB
SCHEMBL1019253 0.84 PIK3CB (0.55) NOS3NOS1NOS2PIK3CBPARP1
SCHEMBL15081394 0.82 SMN1; SMN2 (0.39) NOS3NOS1NOS2SMN1; SMN2PIK3CB
SCHEMBL15606575 0.80 NOS3 (0.52) NOS3NOS1NOS2SMN1; SMN2PIK3CB
SCHEMBL25722645 0.80 NOS3 (0.52) NOS3NOS1NOS2PIK3CBPARP1
SCHEMBL24576946 0.79 PIK3C3 (0.49) NOS3NOS1NOS2PIK3CBPARP1
SCHEMBL17382219 0.79 PIK3C3 (0.50) NOS3NOS1NOS2PIK3CBPARP1
SCHEMBL17382217 0.79 ATM (0.47) NOS3NOS1NOS2IKBKETBK1
SCHEMBL6626587 0.79 SMN1; SMN2 (0.56) NOS3NOS1NOS2SMN1; SMN2PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104592222-A Preparation method for antiplatelet medicine AZD6482 SUZHOU MIRACPHARMA TECHNOLOGY CO LTD 2015-05-06 CN claimed
EP-4605400-A1 NOVEL TRIHETEROCYCLIC COMPOUNDS Idience Co., Ltd. (KR) 2025-08-27 EP disclosed
WO-2024085661-A1 NOVEL TRIHETEROCYCLIC COMPOUNDS ILDONG PHARMACEUTICAL CO., LTD. (KR) 2024-04-25 WO disclosed
WO-2024085661-A1 NOVEL TRIHETEROCYCLIC COMPOUNDS ILDONG PHARMACEUTICAL CO., LTD. (KR) 2024-04-25 WO disclosed
US-8865732-B2 Heterocyclic compounds and uses thereof NOVARTIS AG (CH) 2014-10-21 US disclosed
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof NOVARTIS AG (CH) 2013-08-15 US disclosed
US-7772246-B2 Pyrazole compounds as RAF inhibitors PFIZER INC. (US) 2010-08-10 US disclosed
US-7772246-B2 Pyrazole compounds as RAF inhibitors PFIZER INC. (US) 2010-08-10 US disclosed
US-20090221608-A1 PYRAZOLE COMPOUNDS PFIZER INC. 2009-09-03 US disclosed
US-20090221608-A1 PYRAZOLE COMPOUNDS PFIZER INC. 2009-09-03 US disclosed
WO-2009016460-A2 PYRAZOLE COMPOUNDS AND THEIR USE AS RAF INHIBITORS PFIZER INC. (US) 2009-02-05 WO disclosed
US-20080261921-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-10-23 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-20090221608-A1 PYRAZOLE COMPOUNDS BRAF, RAF1, NRAS NOS3 3044/4885NOS1 3870/4885NOS2 3616/4885
US-20080261921-A1 FUSED RING HETEROCYCLE KINASE MODULATORS MAP3K20, MAP3K19, MAP4K2 NOS3 3238/4885NOS1 3452/4885NOS2 3298/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS NOS3 4072/4885NOS1 4196/4885NOS2 4217/4885

“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.