SCHEMBL857003

SCHEMBL857003

[c]1ccnc(Nc2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.50
MAPT P10636 3/20 0.50
MAPK1 P28482 3/20 0.50
PRKCD Q05655 2/20 0.50
PDPK1 O15530 2/20 0.50
CDK1 P06493 2/20 0.50
LYN P07948 2/20 0.50
FGFR1 P11362 2/20 0.50
FGFR3 P22607 2/20 0.50
RPS6KB1 P23443 2/20 0.50
CDK2 P24941 2/20 0.50
MARK3 P27448 2/20 0.50
BLK P51451 2/20 0.50
RPS6KA3 P51812 2/20 0.50
ERBB4 Q15303 2/20 0.50
MARK2 Q7KZI7 2/20 0.50
PLK3 Q9H4B4 2/20 0.50
CHEK1 O14757 1/20 0.50
IKBKB O14920 1/20 0.50
NPC1 O15118 1/20 0.50

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
SCHEMBL4728050 0.80 NFKB1 (0.50) AURKACDK1CDK2ABL1NFKB1
SCHEMBL6954358 0.80 KDR (0.47) AURKACDK2EGFRAURKBPTGS1
SCHEMBL15968669 0.77 AURKA (0.63) AURKAMAPTMAPK1PRKCDPDPK1
SCHEMBL911 0.77 AURKA (0.63) AURKAMAPTMAPK1PRKCDPDPK1
Ammonia Solution, Strong SCHEMBL28789700 0.74 MAPT (0.61) AURKAMAPTMAPK1PRKCDPDPK1
Hydrochloric Acid SCHEMBL6820971 0.74 MAPK1 (0.61) AURKAMAPTMAPK1PRKCDPDPK1
SCHEMBL6370265 0.74 AURKA (0.61) AURKAMAPTMAPK1PRKCDPDPK1
SCHEMBL5254394 0.74 FABP1 (0.49) MEN1KMT2AHDAC6ALDH1A1KCNH3
SCHEMBL5597057 0.70 HPGD (0.54) MAPTMAPK1CDK2EGFRMEN1
SCHEMBL8960505 0.69 BCL6 (0.49) AURKAMAPTMAPK1PRKCDPDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183241-B2 2-oxo-1-pyrrolidine derivatives UCB PHARMA, S.A. (BE) 2012-05-22 US claimed
US-20090156607-A1 2-OXO-1-PYRROLIDINE DERIVATIVES UCB, S.A. (BE) 2009-06-18 US claimed
EP-1912966-A2 2-OXO-1-PYRROLIDINE DERIVATIVES AND THEIR THERAPEUTIC USE ON THE CENTRAL NERVOUS SYSTEM UCB, S.A. (BE) 2008-04-23 EP claimed
EP-1812440-A1 PYRAZOLOÝ1,5-a¨PYRIMIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES Vertex Pharmaceuticals, Inc. (US) 2007-08-01 EP claimed
WO-2006128692-A2 2-OXO-1-PYRROLIDINE DERIVATIVES AND THEIR THERAPEUTIC USE ON THE CENTRAL NERVOUS SYSTEM UCB PHARMA, S.A. (BE) 2006-12-07 WO claimed
US-7138395-B2 Interleukin-1β converting enzyme inhibitors THE PROCTER & GAMBLE COMPANY (US) 2006-11-21 US claimed
WO-2006052913-A1 PYRAZOLO[1,5-a]PYRIMIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-05-18 WO claimed
US-7041696-B2 Interleukin-1β converting enzyme inhibitors THE PROCTER & GAMBLE COMPANY (US) 2006-05-09 US claimed
US-7001899-B2 Interleukin converting enzyme inhibitors THE PROCTER & GAMBLE COMPANY (US) 2006-02-21 US claimed
EP-1513844-A1 NOVEL INTERLEUKIN-1 BETA CONVERTING ENZYME INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2005-03-16 EP claimed
EP-1511491-A1 DERIVATIVES OF AZEPINE AND THIAZEPAN AS INTERLEUKIN CONVERTING ENZYME INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2005-03-09 EP claimed
EP-1511749-A1 NOVEL INTERLEUKIN-1BETA CONVERTING ENZYME INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2005-03-09 EP claimed
US-20040014753-A1 Novel interleukin-1beta converting enzyme inhibitors THE PROCTER & GAMBLE COMPANY 2004-01-22 US claimed
US-20040009966-A1 7-member ring N-heterocycles that have a cysteine trap substitution; treating osteoarthritis THE PROCTER & GAMBLE COMPANY 2004-01-15 US claimed
US-20030236296-A1 Novel interleukin-1beta converting enzyme inhibitors THE PROCTER & GAMBLE COMPANY 2003-12-25 US claimed
WO-2003106460-A1 NOVEL INTERLEUKIN-1 BETA CONVERTING ENZYME INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2003-12-24 WO claimed
WO-2003104231-A1 NOVEL INTERLEUKIN-1β CONVERTING ENZYME INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2003-12-18 WO claimed
WO-2003103677-A1 DERIVATIVES OF AZEPINE AND THIAZERAN AS INTERLEUKIN CONVERTING ENZYME INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2003-12-18 WO claimed
CN-114195806-A Carbonyl heterocyclic compound and application thereof 上海医药集团股份有限公司 2022-03-18 CN disclosed
WO-2003104231-A1 NOVEL INTERLEUKIN-1β CONVERTING ENZYME INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2003-12-18 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 (4 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-20040009966-A1 7-member ring N-heterocycles that have a cysteine trap substitution; treating osteoarthritis TST, SYVN1, TXN2 AURKA 3328/4885MAPT 3724/4885MAPK1 2743/4885
US-20090156607-A1 2-OXO-1-PYRROLIDINE DERIVATIVES OPRD1, PPOX, CYP2D6 AURKA 3630/4885MAPT 1512/4885MAPK1 3655/4885
US-20030236296-A1 Novel interleukin-1beta converting enzyme inhibitors IL1R1, IL1B, IL1RN AURKA 4641/4885MAPT 4351/4885MAPK1 635/4885
US-20040014753-A1 Novel interleukin-1beta converting enzyme inhibitors IL1B, IL1RN, IL1R1 AURKA 4224/4885MAPT 3942/4885MAPK1 767/4885

“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.