SCHEMBL277496

SCHEMBL277496

Nc1ncnn2c(CN3CCOCC3)c(Cl)c(Br)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVRL1 P37023 6/20 0.47
FGFR1 P11362 6/20 0.41
FGFR3 P22607 5/20 0.41
PIK3CD O00329 5/20 0.39
CYP2A13 Q16696 2/20 0.37
RET P07949 1/20 0.36
BCR P11274 1/20 0.36
FLT3 P36888 1/20 0.36
FRK P42685 1/20 0.36
MAPK9 P45984 1/20 0.36
RPS6KA3 P51812 1/20 0.36
PRKCD Q05655 1/20 0.36
DDR1 Q08345 1/20 0.36
MAP4K2 Q12851 1/20 0.36
TNK1 Q13470 1/20 0.36
RPS6KA1 Q15418 1/20 0.36
MAP3K11 Q16584 1/20 0.36
DDR2 Q16832 1/20 0.36
RPS6KA6 Q9UK32 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL276634 0.85 ACVRL1 (0.47) ACVRL1FGFR1FGFR3PIK3CDCYP2A13
SCHEMBL10225604 0.82 ACVRL1 (0.49) ACVRL1FGFR1FGFR3PIK3CDRET
SCHEMBL27739607 0.82 FGFR1 (0.47) ACVRL1FGFR1FGFR3PIK3CDRET
SCHEMBL275585 0.81 FGFR1 (0.51) ACVRL1FGFR1FGFR3RETBCR
SCHEMBL15020405 0.81 FGFR1 (0.38) ACVRL1FGFR1FGFR3
SCHEMBL276259 0.81 ACVRL1 (0.46) ACVRL1FGFR1FGFR3PIK3CDRET
SCHEMBL275202 0.81 ACVRL1 (0.45) ACVRL1FGFR1FGFR3PIK3CDRET
SCHEMBL279657 0.81 ACVRL1 (0.45) ACVRL1FGFR1FGFR3PIK3CDRET
SCHEMBL27760019 0.79 ACVRL1 (0.44) ACVRL1FGFR1FGFR3PIK3CDRET
SCHEMBL275210 0.79 FGFR1 (0.45) ACVRL1FGFR1FGFR3PIK3CDRET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8829185-B2 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2014-09-09 US disclosed
US-8829185-B2 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2014-09-09 US disclosed
US-8829185-B2 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2014-09-09 US disclosed
EP-1957077-B1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2014-01-22 EP disclosed
EP-1957077-B1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2014-01-22 EP disclosed
US-20120165314-A1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2012-06-28 US disclosed
US-20120165314-A1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2012-06-28 US disclosed
EP-2465505-A1 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis Bayer HealthCare LLC (US) 2012-06-20 EP disclosed
EP-2465505-A1 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis Bayer HealthCare LLC (US) 2012-06-20 EP disclosed
US-8133995-B2 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2012-03-13 US disclosed
US-8133995-B2 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2012-03-13 US disclosed
US-20090281079-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated With Angiogenesis BAYER HEALTHCARE LLV (US) 2009-11-12 US disclosed
US-20090281079-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated With Angiogenesis BAYER HEALTHCARE LLV (US) 2009-11-12 US disclosed
CN-101365454-A Substituted 4-amino-pyrrolotriazine derivatives for the treatment of hyperproliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2009-02-11 CN disclosed
EP-1957077-A2 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS Bayer HealthCare LLC (US) 2008-08-20 EP disclosed
WO-2007064883-A2 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC. (US) 2007-06-07 WO disclosed
WO-2007064883-A2 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC. (US) 2007-06-07 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 (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-20120165314-A1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS CDK4, FLT4, CDKL4 ACVRL1 1003/4885FGFR1 19/4885FGFR3 284/4885
US-20090281079-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated With Angiogenesis CDK4, FLT4, CDKL4 ACVRL1 1003/4885FGFR1 19/4885FGFR3 284/4885

“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.