SCHEMBL66411

SCHEMBL66411

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 11/20 0.42
CSNK2A2 P19784 4/20 0.36
CSNK2A1 P68400 4/20 0.36
ACVRL1 P37023 2/20 0.35
PLK4 O00444 1/20 0.34
AURKA O14965 1/20 0.34
DAPK3 O43293 1/20 0.34
ROCK2 O75116 1/20 0.34
PAK4 O96013 1/20 0.34
CHEK2 O96017 1/20 0.34
ABL1 P00519 1/20 0.34
NTRK1 P04629 1/20 0.34
INSR P06213 1/20 0.34
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34
CSF1R P07333 1/20 0.34
LYN P07948 1/20 0.34
IGF1R P08069 1/20 0.34
MET P08581 1/20 0.34
KIT P10721 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
SCHEMBL60090 0.84 PIK3CD (0.42) PIK3CDCSNK2A2CSNK2A1ACVRL1NTRK1
SCHEMBL65573 0.84 ACVRL1 (0.38) PIK3CDCSNK2A2CSNK2A1ACVRL1FGFR1
SCHEMBL66408 0.82 PIK3CD (0.37) PIK3CDCSNK2A2CSNK2A1ACVRL1RIPK1
SCHEMBL60270 0.79 ACVRL1 (0.50) PIK3CDACVRL1
SCHEMBL64693 0.78 PIK3CD (0.41) PIK3CDCSNK2A2CSNK2A1RIPK1
SCHEMBL66503 0.76 ALDH1A1 (0.43) PIK3CDACVRL1KDR
SCHEMBL19698013 0.73 PIK3CD (0.35) PIK3CDACVRL1KDR
SCHEMBL19280465 0.73 PIK3CD (0.35) PIK3CDACVRL1FGFR1FGFR3KDR
SCHEMBL65734 0.73 PIK3CD (0.36) PIK3CDCSNK2A2CSNK2A1ACVRL1KDR
SCHEMBL64689 0.72 ACVRL1 (0.55) PIK3CDACVRL1NTRK1FGFR1FGFR3

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 529/4885CSNK2A2 1432/4885CSNK2A1 1497/4885
US-20100063038-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated with Angiogenesis CDK4, CDKL4, MKI67 PIK3CD 608/4885CSNK2A2 1470/4885CSNK2A1 1527/4885

“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.