SCHEMBL65573

SCHEMBL65573

CCC(=O)c1cc(C)c2c(N)ncnn12

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACVRL1 P37023 6/20 0.38
PIK3CD O00329 8/20 0.38
CSNK2A2 P19784 3/20 0.35
CSNK2A1 P68400 3/20 0.35
RIPK1 Q13546 2/20 0.35
FGFR1 P11362 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
SCHEMBL66408 0.87 PIK3CD (0.37) ACVRL1PIK3CDCSNK2A2CSNK2A1RIPK1
SCHEMBL28781326 0.86 ACVRL1 (0.38) ACVRL1PIK3CDCSNK2A2CSNK2A1
SCHEMBL66411 0.84 PIK3CD (0.42) ACVRL1PIK3CDCSNK2A2CSNK2A1RIPK1
SCHEMBL64693 0.75 PIK3CD (0.41) PIK3CDCSNK2A2CSNK2A1RIPK1
SCHEMBL65572 0.74 ACVRL1 (0.45) ACVRL1PIK3CD
SCHEMBL66503 0.73 ALDH1A1 (0.43) ACVRL1PIK3CD
SCHEMBL65394 0.73 ACVRL1 (0.50) ACVRL1FGFR1
SCHEMBL64689 0.72 ACVRL1 (0.55) ACVRL1PIK3CDRIPK1FGFR1
SCHEMBL64691 0.72 ACVRL1 (0.59) ACVRL1PIK3CD
SCHEMBL5074930 0.71 PIK3CD (0.37) ACVRL1PIK3CDCSNK2A2CSNK2A1

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 941/4885PIK3CD 529/4885CSNK2A2 1432/4885
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 608/4885CSNK2A2 1470/4885

“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.