SCHEMBL4773072

SCHEMBL4773072

O=C(NCCc1ccccn1)c1cc2c3c(c(-c4ccccc4)[nH]c3c1)C=NNC2=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RAB9A P51151 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 2/20 0.40
NAMPT P43490 2/20 0.40
PARP1 P09874 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
NPC1 O15118 3/20 0.39
HPGD P15428 1/20 0.39
DHFR P00374 2/20 0.39
KMT2A Q03164 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 1/20 0.38
PTGFR P43088 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 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
SCHEMBL4777267 0.88 PARP1 (0.44) ALDH1A1L3MBTL1RAB9ASMN1; SMN2KDM4E
SCHEMBL4793556 0.88 PARP1 (0.39) ALDH1A1L3MBTL1RAB9APARP1PARP2
SCHEMBL6493764 0.84 PARP1 (0.44) ALDH1A1RAB9ASMN1; SMN2KDM4EPARP1
SCHEMBL13987164 0.83 PARP1 (0.43) ALDH1A1KDM4EPARP1PARP2HPGD
SCHEMBL4780320 0.83 PARP1 (0.39) ALDH1A1KDM4EPARP1PARP2HPGD
SCHEMBL4778270 0.80 NPC1 (0.44) L3MBTL1RAB9ASMN1; SMN2KDM4EPARP1
SCHEMBL4779565 0.80 PARP1 (0.49) ALDH1A1L3MBTL1SMN1; SMN2KDM4EPARP1
SCHEMBL4821015 0.79 PARP1 (0.45) ALDH1A1RAB9ASMN1; SMN2KDM4EPARP1
SCHEMBL4775308 0.79 PARP1 (0.51) ALDH1A1KDM4EPARP1HPGDKMT2A
SCHEMBL4776804 0.77 PARP1 (0.44) KDM4EPARP1PARP2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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-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-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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 ALDH1A1 4205/4885L3MBTL1 946/4885RAB9A 1952/4885
US-20070135415-A1 TRICYCLIC COMPOUNDS PROTEIN KINASE INHIBITORS FOR ENHANCING THE EFFICACY OF ANTI-NEOPLASTIC AGENTS AND RADIATION THERAPY CHEK1, CHEK2, CHKA ALDH1A1 4198/4885L3MBTL1 1287/4885RAB9A 2106/4885

“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.