SCHEMBL64689

SCHEMBL64689

Cc1cc(C(C)O)n2ncnc(N)c12

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACVRL1 P37023 7/20 0.55
RET P07949 4/20 0.41
KDR P35968 3/20 0.41
NTRK1 P04629 1/20 0.38
PIK3CD O00329 4/20 0.35
NTRK2 Q16620 1/20 0.35
FGFR1 P11362 1/20 0.35
FGFR3 P22607 1/20 0.35
RIPK1 Q13546 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34

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
SCHEMBL26690322 0.87 ACVRL1 (0.52) ACVRL1RETKDRNTRK1PIK3CD
SCHEMBL16011363 0.84 ACVRL1 (0.55) ACVRL1RETKDRNTRK1PIK3CD
SCHEMBL66503 0.76 ALDH1A1 (0.43) ACVRL1RETKDRPIK3CD
SCHEMBL19280465 0.73 PIK3CD (0.35) ACVRL1RETKDRPIK3CDFGFR1
SCHEMBL19698013 0.73 PIK3CD (0.35) ACVRL1RETKDRPIK3CD
SCHEMBL65394 0.73 ACVRL1 (0.50) ACVRL1FGFR1FGFR3
SCHEMBL14488024 0.72 ACVRL1 (1.00) ACVRL1
SCHEMBL279504 0.72 ACVRL1 (0.41) ACVRL1RETKDRNTRK1PIK3CD
SCHEMBL66411 0.72 PIK3CD (0.42) ACVRL1KDRNTRK1PIK3CDNTRK2
SCHEMBL65573 0.72 ACVRL1 (0.38) ACVRL1PIK3CDFGFR1RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 941/4885RET 1190/4885KDR 41/4885
US-20100063038-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated with Angiogenesis CDK4, CDKL4, MKI67 ACVRL1 963/4885RET 1280/4885KDR 41/4885

“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.