SCHEMBL879122

SCHEMBL879122

CCN(CCOC)Cc1cc(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccn3)cc2OC)c2c(N)ncnn12

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.41
BTK Q06187 16/20 0.40
AXL P30530 1/20 0.39
KCNH2 Q12809 1/20 0.38
CACNA1C Q13936 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37

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
SCHEMBL879082 0.84 BTK (0.39) BTKKCNH2
SCHEMBL878901 0.83 AXL (0.46) BTKAXL
SCHEMBL878967 0.82 KDR (0.45) BTKAXL
SCHEMBL58293 0.81 ACVRL1 (0.48) BTKHTR2AHTR2C
SCHEMBL328054 0.80 KDR (0.43) BTKKCNH2
SCHEMBL878924 0.79 KDR (0.42)
SCHEMBL10290643 0.79 KDR (0.46) HTR2AHTR2C
SCHEMBL879093 0.78 KDR (0.43) HTR2AHTR2C
SCHEMBL878946 0.78 RET (0.41)
SCHEMBL878949 0.78 FGFR1 (0.47) BTKAXL

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 2 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-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 (1 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-20100063038-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated with Angiogenesis CDK4, CDKL4, MKI67 MCHR1 2206/4885BTK 4107/4885AXL 2194/4885

“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.