SCHEMBL279391

SCHEMBL279391

Cc1cc2c(N)ncnn2c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.39
ALDH1A1 P00352 1/20 0.35
FGFR1 P11362 2/20 0.33
FGFR3 P22607 2/20 0.33
EGLN2 Q96KS0 4/20 0.33
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
NOS3 P29474 2/20 0.32
NOS1 P29475 2/20 0.32
NOS2 P35228 2/20 0.32
ENPP1 P22413 1/20 0.32
KIT P10721 2/20 0.31
ACVRL1 P37023 1/20 0.31
KDR P35968 2/20 0.31
PLK4 O00444 1/20 0.31
AURKA O14965 1/20 0.31
DAPK3 O43293 1/20 0.31
ROCK2 O75116 1/20 0.31
PAK4 O96013 1/20 0.31
CHEK2 O96017 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
SCHEMBL16389706 0.81 MAP4K4 (0.37) MAP4K4ALDH1A1EGLN2KDM4EPKM
SCHEMBL15020062 0.78 ACVRL1 (0.39) MAP4K4FGFR1FGFR3KITACVRL1
SCHEMBL19697999 0.75 KDM4E (0.42) MAP4K4ALDH1A1FGFR1FGFR3EGLN2
SCHEMBL19354276 0.71 MAP4K4 (0.40) MAP4K4ALDH1A1EGLN2KITACVRL1
SCHEMBL64667 0.71 MAP4K4 (0.44) MAP4K4ALDH1A1EGLN2NOS3NOS1
SCHEMBL23990236 0.70
SCHEMBL17430752 0.69 EGLN2 (0.42) MAP4K4ALDH1A1FGFR1EGLN2KDM4E
SCHEMBL66503 0.69 ALDH1A1 (0.43) ALDH1A1ACVRL1KDR
SCHEMBL15023159 0.69 KIT (0.31) KIT
SCHEMBL15047992 0.69 KIT (0.31) KIT

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-8829185-B2 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2014-09-09 US disclosed
US-20120165314-A1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2012-06-28 US disclosed
US-8133995-B2 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2012-03-13 US disclosed
US-20090281079-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated With Angiogenesis BAYER HEALTHCARE LLV (US) 2009-11-12 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-20120165314-A1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS CDK4, FLT4, CDKL4 MAP4K4 127/4885ALDH1A1 3137/4885FGFR1 19/4885
US-20090281079-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated With Angiogenesis CDK4, FLT4, CDKL4 MAP4K4 127/4885ALDH1A1 3137/4885FGFR1 19/4885

“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.