SCHEMBL4773059

SCHEMBL4773059

COC(=O)c1cc(N)cc2[nH]c(-c3cccc(CN(C)C)c3)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHUK O15111 1/20 0.48
INSR P06213 1/20 0.48
MAPK8 P45983 1/20 0.48
CAMKK2 Q96RR4 1/20 0.48
CSF1R P07333 6/20 0.45
PARP1 P09874 2/20 0.44
AURKA O14965 5/20 0.40
AURKB Q96GD4 5/20 0.40
INCENP Q9NQS7 3/20 0.40
TPX2 Q9ULW0 3/20 0.40
TNKS O95271 3/20 0.39
SLC2A1 P11166 1/20 0.39
EGFR P00533 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR7 P34969 1/20 0.38

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
SCHEMBL4772605 0.88 PARP1 (0.39) CHUKINSRMAPK8CAMKK2CSF1R
SCHEMBL4779548 0.82 NR4A2 (0.49) MEN1ALDH1A1GAAMAPTHPGD
SCHEMBL6493095 0.78 TLR8 (0.43) CHUKINSRMAPK8CAMKK2CSF1R
SCHEMBL4776229 0.73 AOC3 (0.43) CHUKINSRMAPK8CAMKK2CSF1R
SCHEMBL4775372 0.73 KDM4E (0.45) CSF1RMEN1ALDH1A1HPGDKMT2A
SCHEMBL27636833 0.70 GAA (0.42) ALDH1A1GAAMAPTHPGD
SCHEMBL12509807 0.69 CHUK (0.55) CHUKINSRMAPK8CAMKK2PARP1
SCHEMBL13987151 0.69 KIF11 (0.51) PARP1MEN1ALDH1A1HPGDKMT2A
SCHEMBL14144123 0.69 ALDH1A1 (0.43) MEN1ALDH1A1GAAMAPTHPGD
SCHEMBL1318407 0.68 HSD17B2 (0.54) EGFRALDH1A1MAPTHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1759118-B Diazepinoindole derivatives as kinase inhibitors PFIZER 2010-12-08 CN disclosed
US-7462713-B2 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy AGOURON PHARMACEUTICALS, INC. (US) 2008-12-09 US disclosed
EP-1585749-B1 DIAZEPINOINDOLE DERIVATIVES AS KINASE INHIBITORS PFIZER (US) 2008-08-13 EP disclosed
EP-1947102-A1 Compositions comprising diazepinoindole derivatives as kinase inhibitors Pfizer, Inc. (US) 2008-07-23 EP disclosed
US-20070135415-A1 TRICYCLIC COMPOUNDS PROTEIN KINASE INHIBITORS FOR ENHANCING THE EFFICACY OF ANTI-NEOPLASTIC AGENTS AND RADIATION THERAPY AGOURON PHARMACEUTICALS, INC. 2007-06-14 US disclosed
US-7132533-B2 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy AGOURON PHARMACEUTICALS, INC. (US) 2006-11-07 US disclosed
CN-1759118-A Diazepinoindole derivatives as kinase inhibitors PFIZER (US) 2006-04-12 CN disclosed
US-20060004052-A1 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy AGOURON PHARMACEUTICALS, INC. 2006-01-05 US disclosed
US-6967198-B2 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy AGOURON PHARMACEUTICALS INC. (US) 2005-11-22 US disclosed
US-20050075499-A1 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy AGOURON PHARMACEUTICALS, INC. 2005-04-07 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-20060004052-A1 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy CHEK1, CHEK2, CHKA CHUK 99/4885INSR 2103/4885MAPK8 373/4885
US-20050075499-A1 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy CHEK2, CHEK1, CHKA CHUK 86/4885INSR 2338/4885MAPK8 332/4885
US-20070135415-A1 TRICYCLIC COMPOUNDS PROTEIN KINASE INHIBITORS FOR ENHANCING THE EFFICACY OF ANTI-NEOPLASTIC AGENTS AND RADIATION THERAPY CHEK1, CHEK2, CHKA CHUK 77/4885INSR 2343/4885MAPK8 382/4885

“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.