SCHEMBL3000655

SCHEMBL3000655

CC(Nc1nc(C(N)=O)nc2cc[c]cc12)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.45
RPS6KB1 P23443 3/20 0.45
AURKB Q96GD4 1/20 0.45
MAPT P10636 3/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 4/20 0.42
GAA P10253 3/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LDHB P07195 1/20 0.42
CCNE2 O96020 3/20 0.42
CCNE1 P24864 3/20 0.42
CDK2 P24941 3/20 0.42
CDK4 P11802 2/20 0.42
CCND1 P24385 2/20 0.42
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL2996405 0.84 AURKA (0.43) AURKARPS6KB1AURKBMAPTKMT2A
SCHEMBL3265691 0.79 MAPT (0.44) AURKAAURKBMAPTKMT2AMEN1
SCHEMBL7648472 0.75 GALR3 (0.70) AURKARPS6KB1AURKBHSD17B10LMNA
SCHEMBL8147977 0.73 SCN9A (0.50) MAPTKMT2AMEN1KDM4EGAA
SCHEMBL2992809 0.70 AURKA (0.46) AURKARPS6KB1EGFR
SCHEMBL6584052 0.70 KDM1A (0.45) MAPTKMT2AMEN1GAACDK2
SCHEMBL8093530 0.69 SIRT2 (0.50) AURKBKMT2AMEN1LMNANPSR1
SCHEMBL2991831 0.69 DYRK1A (0.47) AURKARPS6KB1EGFR
SCHEMBL4867963 0.68 AURKA (0.48) AURKARPS6KB1MAPTALDH1A1EGFR
SCHEMBL5116010 0.68 EGFR (0.39) AURKARPS6KB1AURKBMAPTEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0892789-B2 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER LAMBERT CO (US) 2009-11-18 EP claimed
US-20030229051-A1 Irreversible inhibitors of tyrosine kinases BRIDGES ALEXANDER JAMES (US) 2003-12-11 US claimed
EP-0892789-B1 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER LAMBERT CO (US) 2002-02-27 EP claimed
EP-0892789-A1 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 1999-01-27 EP claimed
WO-1997038983-A1 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 1997-10-23 WO claimed
US-7786131-B2 Anticancer agents; restenosis; atherosclerosis; skin disorders WARNER-LAMBERT COMPANY (US) 2010-08-31 US disclosed
EP-0892789-B2 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER LAMBERT CO (US) 2009-11-18 EP disclosed
US-20040198752-A1 ADMINISTERING RETINOIDS WITH EPIDERMAL GROWTH FACTOR RECEPTOR INHIBITORS ELDER JAMES T (US) 2004-10-07 US disclosed
US-20030229051-A1 Irreversible inhibitors of tyrosine kinases BRIDGES ALEXANDER JAMES (US) 2003-12-11 US disclosed
US-20020169176-A1 Method for inhibiting retinoid skin damage ELDER JAMES T (US) 2002-11-14 US disclosed
EP-1230919-A2 Use of a composition comprising a retinoid and an erb inhibitor in the preparation of a medicament for the treatment of retinoid skin damage WARNER-LAMBERT COMPANY (US) 2002-08-14 EP disclosed
EP-0892789-B1 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER LAMBERT CO (US) 2002-02-27 EP disclosed
US-6344459-B1 TREATING CANCER, RESTENOSIS, ATHEROSCLEROSIS, ENDOMETRIOSIS, AND PSORIASIS WARNER-LAMBERT COMPANY 2002-02-05 US disclosed
EP-0892789-A1 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 1999-01-27 EP disclosed
WO-1997038983-A1 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 1997-10-23 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 (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-20020169176-A1 Method for inhibiting retinoid skin damage RARB, EBP, RXRA AURKA 4045/4885RPS6KB1 912/4885AURKB 3468/4885
US-20040198752-A1 ADMINISTERING RETINOIDS WITH EPIDERMAL GROWTH FACTOR RECEPTOR INHIBITORS EGFR, RARB, RXRA AURKA 3680/4885RPS6KB1 1462/4885AURKB 3633/4885
US-20030229051-A1 Irreversible inhibitors of tyrosine kinases ERBB2, ERBB3, LCK AURKA 92/4885RPS6KB1 902/4885AURKB 60/4885

“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.