SCHEMBL64691

SCHEMBL64691

CCCc1cc(C)c2c(N)ncnn12

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACVRL1 P37023 12/20 0.59
NOS2 P35228 1/20 0.36
ADORA2A P29274 2/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PIK3CD O00329 3/20 0.33

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
SCHEMBL65572 0.87 ACVRL1 (0.45) ACVRL1ADORA2APIK3CD
SCHEMBL16011258 0.84 ACVRL1 (0.59) ACVRL1ADORA2APIK3CD
SCHEMBL65394 0.83 ACVRL1 (0.50) ACVRL1
SCHEMBL26516083 0.81 ACVRL1 (0.55) ACVRL1PIK3CD
SCHEMBL21237489 0.78 ACVRL1 (0.42) ACVRL1PIK3CD
SCHEMBL66503 0.76 ALDH1A1 (0.43) ACVRL1PIK3CD
SCHEMBL16021414 0.76 ACVRL1 (0.50) ACVRL1ADORA2APIK3CD
SCHEMBL14488152 0.74 ACVRL1 (1.00) ACVRL1PIK3CD
SCHEMBL19280465 0.73 PIK3CD (0.35) ACVRL1PIK3CD
SCHEMBL19698013 0.73 PIK3CD (0.35) ACVRL1PIK3CD

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 941/4885NOS2 1355/4885ADORA2A 2531/4885
US-20100063038-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated with Angiogenesis CDK4, CDKL4, MKI67 ACVRL1 963/4885NOS2 1332/4885ADORA2A 2711/4885

“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.