SCHEMBL2999462

SCHEMBL2999462

CN1CCN(C(=O)c2cc(-c3ccc(N(C(N)=O)c4cccc(C(F)(F)F)c4)c(F)c3)c3c(N)ncnn23)CC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.39
PIK3CD O00329 2/20 0.38
ERN1 O75460 1/20 0.38
FYN P06241 1/20 0.36
ATM Q13315 1/20 0.36
ALOX5AP P20292 4/20 0.36
FEN1 P39748 4/20 0.36
SCN9A Q15858 1/20 0.35
MAP4K4 O95819 1/20 0.35
ACVRL1 P37023 1/20 0.35
GRM5 P41594 1/20 0.35
FGFR1 P11362 1/20 0.35
DDR2 Q16832 1/20 0.35
RIPK1 Q13546 1/20 0.35
AXL P30530 1/20 0.35
TYRO3 Q06418 1/20 0.35
ABL1 P00519 1/20 0.34
BCR P11274 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
SCHEMBL59368 0.80 ERN1 (0.57) ERN1FYNMAP4K4FGFR1DDR2
SCHEMBL3003145 0.79 ACVRL1 (0.45) KCNH2PIK3CDALOX5APFEN1ACVRL1
SCHEMBL842395 0.78 ACVRL1 (0.41) KCNH2PIK3CDALOX5APFEN1ACVRL1
SCHEMBL59856 0.77 FGFR1 (0.54) KCNH2ERN1FYNMAP4K4FGFR1
SCHEMBL60277 0.75 FLT3 (0.45) KCNH2PIK3CDERN1FGFR1DDR2
SCHEMBL57890 0.74 KDR (0.53) FYNMAP4K4FGFR1DDR2RIPK1
SCHEMBL5132542 0.73 ACVRL1 (0.51) ALOX5APFEN1ACVRL1RIPK1
SCHEMBL30543127 0.72 ERN1 (0.67) ERN1
SCHEMBL2990522 0.71 ACVRL1 (0.55) PIK3CDALOX5APFEN1ACVRL1FGFR1
SCHEMBL6646551 0.71 KIT (0.53) FYNMAP4K4FGFR1RIPK1AXL

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed

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-20100179125-A1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS CDK4, CDKL4, MKI67 KCNH2 2584/4885PIK3CD 529/4885ERN1 4560/4885

“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.