SCHEMBL15222016

SCHEMBL15222016

Cc1ccnc(NC(=O)Nc2ccc(-c3c(-c4cnco4)cn4ncnc(N)c34)cc2F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NEK7 Q8TDX7 3/20 0.40
FLT3 P36888 11/20 0.38
KDR P35968 3/20 0.38
KIT P10721 1/20 0.38
NTRK1 P04629 1/20 0.37
NTRK3 Q16288 1/20 0.37
NTRK2 Q16620 1/20 0.37
RET P07949 2/20 0.37
FGFR1 P11362 2/20 0.37
RPS6KA3 P51812 2/20 0.37
AURKA O14965 1/20 0.37
PDPK1 O15530 1/20 0.37
DAPK3 O43293 1/20 0.37
PRKD3 O94806 1/20 0.37
LCK P06239 1/20 0.37
PDGFRA P16234 1/20 0.37
FER P16591 1/20 0.37
LTK P29376 1/20 0.37
SYK P43405 1/20 0.37
BLK P51451 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
SCHEMBL275748 0.90 FLT3 (0.42) NEK7FLT3KDRKITNTRK1
SCHEMBL3612350 0.89 IMPDH2 (0.45) FLT3KDRKITNTRK1NTRK3
SCHEMBL15222000 0.84 NTRK1 (0.40) NEK7FLT3KDRKITNTRK1
SCHEMBL276106 0.83 FLT3 (0.51) FLT3KDRKITNTRK1NTRK3
SCHEMBL15221928 0.83 KDR (0.53) FLT3KDRKITNTRK3NTRK2
SCHEMBL15221837 0.82 NTRK1 (0.40) NEK7FLT3KDRKITNTRK1
SCHEMBL3620245 0.82 KDR (0.42) FLT3KDRNTRK1RETFGFR1
SCHEMBL3612846 0.81 BTK (0.40) KDRLCKPDGFRABLKFRK
SCHEMBL276442 0.80 FGFR1 (0.44) NEK7FLT3KDRKITNTRK1
SCHEMBL15221998 0.80 NTRK1 (0.42) NEK7FLT3KDRKITNTRK1

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-20130225809-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2013-08-29 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-20130225809-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS MKI67, TK2, CDK4 NEK7 3419/4885FLT3 623/4885KDR 85/4885

“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.