SCHEMBL744946

SCHEMBL744946

Nc1ccc(-c2c(C(=O)NCC(F)(F)F)cn3ncnc(N)c23)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.41
RIPK1 Q13546 16/20 0.39
AURKA O14965 3/20 0.36
AURKB Q96GD4 3/20 0.36

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
SCHEMBL762823 0.90 FGFR1 (0.41) FGFR1RIPK1AURKAAURKB
SCHEMBL742979 0.88 LMNA (0.39) FGFR1RIPK1AURKAAURKB
SCHEMBL939373 0.86 FGFR1 (0.42) FGFR1RIPK1AURKAAURKB
SCHEMBL3618756 0.83 AURKB (0.45) FGFR1RIPK1AURKAAURKB
SCHEMBL940569 0.83 FGFR1 (0.39) FGFR1RIPK1AURKAAURKB
SCHEMBL3619154 0.81 RIPK1 (0.49) RIPK1AURKAAURKB
SCHEMBL743360 0.80 FGFR1 (0.38) FGFR1RIPK1AURKAAURKB
SCHEMBL3620899 0.80 FLT1 (0.51) FGFR1RIPK1AURKAAURKB
SCHEMBL741930 0.79 FGFR1 (0.37) FGFR1RIPK1AURKAAURKB
SCHEMBL940266 0.79 PTGES (0.38) FGFR1RIPK1AURKAAURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138336-B2 Pyrrolotriazine derivatives useful for treating cancer through inhibition of aurora kinase BAYER HEALTHCARE LLC (US) 2012-03-20 US disclosed
US-8138336-B2 Pyrrolotriazine derivatives useful for treating cancer through inhibition of aurora kinase BAYER HEALTHCARE LLC (US) 2012-03-20 US disclosed
US-8138336-B2 Pyrrolotriazine derivatives useful for treating cancer through inhibition of aurora kinase BAYER HEALTHCARE LLC (US) 2012-03-20 US disclosed
US-20100273800-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE BAYER HEALTHCARE LLC 2010-10-28 US disclosed
US-20100273800-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE BAYER HEALTHCARE LLC 2010-10-28 US disclosed
US-20100273800-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE BAYER HEALTHCARE LLC 2010-10-28 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-20100273800-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE AURKC, AURKA, PLK1 FGFR1 776/4885RIPK1 333/4885AURKA 2/4885

“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.