SCHEMBL59608

SCHEMBL59608

Nc1ncnn2c(CN3CCOCC3)cc(Br)c12

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACVRL1 P37023 10/20 0.64
PIK3CD O00329 4/20 0.43
CYP2A13 Q16696 1/20 0.41
MERTK Q12866 1/20 0.41
FGFR1 P11362 3/20 0.39
FGFR3 P22607 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GAA P10253 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
SCHEMBL65456 0.95 ACVRL1 (0.59) ACVRL1PIK3CDCYP2A13MERTKFGFR1
SCHEMBL58914 0.87 ACVRL1 (0.50) ACVRL1PIK3CDKDM4EGAA
SCHEMBL58370 0.85 ACVRL1 (0.48) ACVRL1PIK3CDFGFR1KDM4EGAA
SCHEMBL14327080 0.84 ACVRL1 (0.47) ACVRL1PIK3CDFGFR1KDM4E
SCHEMBL16011267 0.82 ACVRL1 (0.62) ACVRL1PIK3CDFGFR1FGFR3KDM4E
SCHEMBL22611793 0.82 ACVRL1 (0.52) ACVRL1PIK3CDCYP2A13FGFR1FGFR3
SCHEMBL59418 0.81 ACVRL1 (0.82) ACVRL1PIK3CDMERTK
SCHEMBL14888176 0.80 ACVRL1 (0.46) ACVRL1PIK3CDMERTKFGFR1FGFR3
SCHEMBL58280 0.79 PIK3CD (0.46) ACVRL1PIK3CDFGFR1FGFR3
SCHEMBL16011197 0.79 ACVRL1 (0.55) ACVRL1PIK3CDMERTKFGFR1FGFR3

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2726482-B1 HYDROXYMETHYLARYL-SUBSTITUTED PYRROLOTRIAZINES AS ALK1 INHIBITORS BAYER IP GMBH (DE) 2016-07-20 EP disclosed
US-9040691-B2 Hydroxymethylaryl-substituted pyrrolotriazines as ALK1 inhibitors BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-05-26 US disclosed
US-9040691-B2 Hydroxymethylaryl-substituted pyrrolotriazines as ALK1 inhibitors BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-05-26 US disclosed
US-9040691-B2 Hydroxymethylaryl-substituted pyrrolotriazines as ALK1 inhibitors BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-05-26 US disclosed
US-20140256718-A1 HYDROXYMETHYLARYL-SUBSTITUTED PYRROLOTRIAZINES AS ALK1 INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-09-11 US disclosed
US-20140256718-A1 HYDROXYMETHYLARYL-SUBSTITUTED PYRROLOTRIAZINES AS ALK1 INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-09-11 US disclosed
US-20140256718-A1 HYDROXYMETHYLARYL-SUBSTITUTED PYRROLOTRIAZINES AS ALK1 INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-09-11 US disclosed
CN-101466710-B Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC 2013-05-29 CN disclosed
EP-1957485-B1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2013-02-13 EP disclosed
EP-1957485-B1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2013-02-13 EP disclosed
US-20100179125-A1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2010-07-15 US disclosed
US-20100179125-A1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2010-07-15 US disclosed
US-20100179125-A1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2010-07-15 US disclosed
US-20100063038-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated with Angiogenesis BAYER HEALTHCARE LLC 2010-03-11 US disclosed
US-20100063038-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated with Angiogenesis BAYER HEALTHCARE LLC 2010-03-11 US disclosed
US-20100063038-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated with Angiogenesis BAYER HEALTHCARE LLC 2010-03-11 US disclosed
CN-101466710-A Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2009-06-24 CN disclosed
EP-1957485-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-2007064931-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-2007064931-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 (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-20100179125-A1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS CDK4, CDKL4, MKI67 ACVRL1 941/4885PIK3CD 529/4885CYP2A13 3875/4885
US-20100063038-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated with Angiogenesis CDK4, CDKL4, MKI67 ACVRL1 963/4885PIK3CD 608/4885CYP2A13 3985/4885
US-20140256718-A1 HYDROXYMETHYLARYL-SUBSTITUTED PYRROLOTRIAZINES AS ALK1 INHIBITORS ALK, FLT1, ACVR1 ACVRL1 4/4885PIK3CD 834/4885CYP2A13 3009/4885

“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.