SCHEMBL65771

SCHEMBL65771

COc1cc(-c2cc(CN3CCOCC3)n3ncnc(N)c23)ccc1NC(=O)OC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVRL1 P37023 9/20 0.58
ABL1 P00519 7/20 0.51
SRC P12931 3/20 0.51
PTK6 Q13882 5/20 0.51
MERTK Q12866 1/20 0.48
FYN P06241 1/20 0.48
PIK3CD O00329 1/20 0.47
EGFR P00533 1/20 0.47
KDR P35968 1/20 0.47
PIK3CA P42336 1/20 0.47
PIK3CG P48736 1/20 0.47
BACE1 P56817 1/20 0.47
PRKDC P78527 1/20 0.47
PI4KB Q9UBF8 1/20 0.47
RET P07949 1/20 0.44
BCR P11274 1/20 0.44
FGFR1 P11362 1/20 0.44
FLT3 P36888 1/20 0.44
FRK P42685 1/20 0.44
MAPK9 P45984 1/20 0.44

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
SCHEMBL64719 0.91 ACVRL1 (0.60) ACVRL1ABL1SRCPTK6MERTK
SCHEMBL2635793 0.90 ACVRL1 (0.64) ACVRL1MERTKPIK3CDPIK3CAPRKDC
SCHEMBL31630448 0.85 ABL1 (0.60) ACVRL1ABL1SRCPTK6FYN
SCHEMBL58415 0.84 ACVRL1 (0.52) ACVRL1ABL1SRCMERTKRET
SCHEMBL58558 0.83 RET (0.54) ACVRL1MERTKRETBCRFGFR1
SCHEMBL59184 0.83 FLT3 (0.66) ACVRL1SRCMERTKEGFRKDR
SCHEMBL31630574 0.83 ABL1 (0.49) ACVRL1ABL1SRCPTK6FYN
SCHEMBL31630558 0.83 ABL1 (0.49) ACVRL1ABL1SRCPTK6FYN
SCHEMBL65769 0.82 ACVRL1 (0.55) ACVRL1MERTKKDRRETBCR
SCHEMBL57445 0.82 RET (0.56) ACVRL1MERTKKDRRETBCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8143393-B2 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2012-03-27 US disclosed
US-8143393-B2 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2012-03-27 US disclosed
US-8129379-B2 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2012-03-06 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
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 (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-20100179125-A1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS CDK4, CDKL4, MKI67 ACVRL1 941/4885ABL1 2063/4885SRC 2995/4885
US-20100063038-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated with Angiogenesis CDK4, CDKL4, MKI67 ACVRL1 963/4885ABL1 2251/4885SRC 3151/4885

“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.