Sugi Predict

Sugi Predict / Compounds / SCHEMBL8178485

SCHEMBL8178485

SCHEMBL8178485

Nc1ccc(F)c2c1CNC2=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K9 P80192 2/20 0.36
▸ MAP3K11 Q16584 2/20 0.36
▸ PARP1 P09874 1/20 0.35
▸ TYK2 P29597 4/20 0.35
▸ PRKD3 O94806 1/20 0.34
▸ PRKCG P05129 1/20 0.34
▸ PRKCB P05771 1/20 0.34
▸ GLI1 P08151 1/20 0.34
▸ GLI2 P10070 1/20 0.34
▸ CDK4 P11802 1/20 0.34
▸ PRKCA P17252 1/20 0.34
▸ CTRB1 P17538 1/20 0.34
▸ PRKACA P17612 1/20 0.34
▸ PRKACG P22612 1/20 0.34
▸ PRKACB P22694 1/20 0.34
▸ CCND1 P24385 1/20 0.34
▸ PRKCH P24723 1/20 0.34
▸ PRKCI P41743 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ PRKCE Q02156 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
SCHEMBL2527674 0.85 KDR (0.38) MAP3K9MAP3K11PARP1TYK2PRKD3
SCHEMBL21436497 0.84 THRB (0.42) MAP3K9MAP3K11PARP1PRKD3PRKCG
SCHEMBL31158640 0.84 MAP3K9 (0.40) MAP3K9MAP3K11PARP1TYK2PRKD3
SCHEMBL6028446 0.84 MAP3K9 (0.40) MAP3K9MAP3K11PARP1TYK2PRKD3
SCHEMBL22663398 0.78 PIM1 (0.49) MAP3K9MAP3K11PARP1TYK2PRKD3
SCHEMBL3042262 0.78 PIM1 (0.44) MAP3K9MAP3K11PARP1PRKD3PRKCG
SCHEMBL10049027 0.75 PARP1 (0.35) MAP3K9MAP3K11PARP1TYK2PRKD3
SCHEMBL18863314 0.72 GRM2 (0.34) MAP3K9MAP3K11TYK2PRKD3PRKCG
SCHEMBL29657095 0.72 GRM2 (0.34) MAP3K9MAP3K11TYK2PRKD3PRKCG
SCHEMBL30775227 0.71 PDE3B (0.45) MAP3K9MAP3K11PARP1TYK2PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014075387-A1 DIARYL HYDANTOIN DERIVATIVE, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF 上海医药集团股份有限公司 (CN) 2014-05-22 — — WO disclosed
US-8039506-B2 Bicyclic lactam factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-18 — — US disclosed
US-8039506-B2 Bicyclic lactam factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-18 — — US disclosed
US-20100041664-A1 BICYCLIC LACTAM FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2010-02-18 — — US disclosed
US-20100041664-A1 BICYCLIC LACTAM FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2010-02-18 — — US disclosed
WO-2008079759-A1 BICYCLIC LACTAM FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-03 — — WO 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 (1 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-20100041664-A1 BICYCLIC LACTAM FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F7, F8, F9 MAP3K9 3424/4885MAP3K11 2954/4885PARP1 2241/4885

“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.