SCHEMBL90876

SCHEMBL90876

C=C1OB(c2cc(F)c(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc2C)OC1(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 4/20 0.42
NTRK1 P04629 3/20 0.42
RET P07949 3/20 0.42
NTRK3 Q16288 3/20 0.42
NTRK2 Q16620 3/20 0.42
CDK8 P49336 2/20 0.42
MAPK14 Q16539 2/20 0.42
AURKB Q96GD4 2/20 0.42
FLT3 P36888 2/20 0.42
LTK P29376 1/20 0.42
IDH1 O75874 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
KDR P35968 6/20 0.40
PDGFRA P16234 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL58847 0.86 KDR (0.48) PDGFRBNTRK1RETNTRK3NTRK2
SCHEMBL12424456 0.83 CA12 (0.52) PDGFRBNTRK1RETNTRK3NTRK2
SCHEMBL60309 0.78 CHRNA7 (0.47) PDGFRBNTRK1RETNTRK3NTRK2
SCHEMBL10072089 0.77 NOTUM (0.32)
SCHEMBL60597 0.77 KDR (0.49) PDGFRBNTRK1RETNTRK3NTRK2
SCHEMBL60567 0.75 KDR (0.54) PDGFRBNTRK1RETNTRK3NTRK2
SCHEMBL59016 0.73 KDR (0.53) PDGFRBNTRK1RETNTRK3NTRK2
SCHEMBL59209 0.73 KDR (0.53) PDGFRBFLT3IDH1KDRMEN1
SCHEMBL279788 0.73 MEN1 (0.44) PDGFRBNTRK1RETNTRK3NTRK2
SCHEMBL57891 0.72 KDR (0.55) PDGFRBNTRK1RETNTRK3NTRK2

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 PDGFRB 408/4885NTRK1 1734/4885RET 1190/4885
US-20100063038-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated with Angiogenesis CDK4, CDKL4, MKI67 PDGFRB 453/4885NTRK1 1788/4885RET 1280/4885

“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.