SCHEMBL4776818

SCHEMBL4776818

O=C(NCc1cccc(C(F)(F)F)c1)c1cc2c3c(c(-c4ccccc4)[nH]c3c1)C=NNC2=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.51
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PLA2G1B P04054 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
GAA P10253 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
MAPK14 Q16539 1/20 0.46
MLYCD O95822 1/20 0.46
DDR2 Q16832 1/20 0.44
PARP1 P09874 1/20 0.44
PARP2 Q9UGN5 1/20 0.44
LMNA P02545 2/20 0.43
RAB9A P51151 1/20 0.43
CHRM3 P20309 2/20 0.43
ROCK2 O75116 1/20 0.42

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
SCHEMBL4779565 0.85 PARP1 (0.49) KMT2ACYP1A2CYP2C19PARP1PARP2
Trifluoroacetic Acid SCHEMBL4779967 0.79 PARP1 (0.40) KMT2APARP1PARP2HPGD
SCHEMBL4772577 0.79 PARP1 (0.46) MEN1KMT2AMAPK14PARP1PARP2
SCHEMBL13987164 0.78 PARP1 (0.43) MAPK14PARP1PARP2LMNAHPGD
SCHEMBL4778270 0.78 NPC1 (0.44) KMT2APARP1PARP2RAB9AROCK2
SCHEMBL4793556 0.75 PARP1 (0.39) MEN1KMT2APARP1PARP2RAB9A
SCHEMBL4779798 0.74 IMPDH2 (0.47) KMT2APARP1PARP2ROCK2ROCK1
SCHEMBL4780501 0.74 IMPDH2 (0.47) KMT2APARP1PARP2ROCK2ROCK1
SCHEMBL4774776 0.73 PARP1 (0.44) MEN1KMT2AGAAPARP1PARP2
SCHEMBL4777119 0.73 NPC1 (0.44) PARP1PARP2ROCK2ROCK1BACE1

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 9 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
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-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 CNR2 1521/4885MEN1 1072/4885KMT2A 1922/4885
US-20070135415-A1 TRICYCLIC COMPOUNDS PROTEIN KINASE INHIBITORS FOR ENHANCING THE EFFICACY OF ANTI-NEOPLASTIC AGENTS AND RADIATION THERAPY CHEK1, CHEK2, CHKA CNR2 1371/4885MEN1 917/4885KMT2A 1951/4885

“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.