SCHEMBL65734

SCHEMBL65734

Cc1cc(C=O)n2ncnc(N)c12

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 9/20 0.36
ACVRL1 P37023 6/20 0.33
TNK2 Q07912 1/20 0.32
RET P07949 1/20 0.32
KDR P35968 1/20 0.32
RIPK1 Q13546 2/20 0.31
CSNK2A2 P19784 1/20 0.31
CSNK2A1 P68400 1/20 0.31

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
SCHEMBL14488117 0.82 PIK3CD (0.35) PIK3CDACVRL1
SCHEMBL66493 0.79 ACVRL1 (0.36) PIK3CDACVRL1
SCHEMBL66503 0.78 ALDH1A1 (0.43) PIK3CDACVRL1RETKDR
SCHEMBL19698013 0.75 PIK3CD (0.35) PIK3CDACVRL1RETKDR
SCHEMBL19280465 0.75 PIK3CD (0.35) PIK3CDACVRL1RETKDR
SCHEMBL66411 0.73 PIK3CD (0.42) PIK3CDACVRL1KDRRIPK1CSNK2A2
SCHEMBL65572 0.72 ACVRL1 (0.45) PIK3CDACVRL1
SCHEMBL26505471 0.72 PIK3CD (0.34) PIK3CDACVRL1RETKDRCSNK2A2
SCHEMBL26690322 0.72 ACVRL1 (0.52) PIK3CDACVRL1RETKDR
SCHEMBL65394 0.71 ACVRL1 (0.50) ACVRL1

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 PIK3CD 529/4885ACVRL1 941/4885TNK2 1713/4885
US-20100063038-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated with Angiogenesis CDK4, CDKL4, MKI67 PIK3CD 608/4885ACVRL1 963/4885TNK2 1739/4885

“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.