SCHEMBL744532

SCHEMBL744532

CCN(C)C(=O)c1cn2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cccc(C)n2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 9/20 0.38
KDR P35968 3/20 0.38
KIT P10721 1/20 0.38
AURKA O14965 2/20 0.38
AURKB Q96GD4 2/20 0.38
RAB9A P51151 5/20 0.37
GBA1 P04062 3/20 0.37
MAPT P10636 2/20 0.37
NEK7 Q8TDX7 2/20 0.37
FGFR1 P11362 3/20 0.37
RPS6KA3 P51812 3/20 0.37
PDPK1 O15530 2/20 0.37
LCK P06239 2/20 0.37
BLK P51451 2/20 0.37
STK3 Q13188 2/20 0.37
RET P07949 2/20 0.37
DAPK3 O43293 1/20 0.37
PRKD3 O94806 1/20 0.37
PDGFRA P16234 1/20 0.37
FER P16591 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
SCHEMBL746492 0.89 RAB9A (0.41) FLT3KDRKITAURKAAURKB
SCHEMBL765587 0.88 KDR (0.40) FLT3KDRRAB9AGBA1MAPT
SCHEMBL744085 0.88 FGFR1 (0.46) FLT3KDRKITAURKAAURKB
SCHEMBL744362 0.87 RAB9A (0.40) FLT3KDRKITAURKAAURKB
SCHEMBL742347 0.87 MAPK14 (0.40) FLT3KDRKITAURKAAURKB
SCHEMBL743410 0.86 ATM (0.39) FLT3KDRKITAURKAAURKB
SCHEMBL743943 0.86 FLT3 (0.39) FLT3KDRKITAURKAAURKB
SCHEMBL744356 0.85 SHMT2 (0.40) FLT3KDRKITAURKAAURKB
SCHEMBL744854 0.85 FLT3 (0.38) FLT3KDRKITAURKAAURKB
Bromide SCHEMBL741865 0.84 FLT3 (0.38) FLT3KDRKITAURKAAURKB

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 10 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 claimed
US-20100273800-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE BAYER HEALTHCARE LLC 2010-10-28 US claimed
EP-2203060-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE Bayer Healthcare, LLC (US) 2010-07-07 EP claimed
WO-2009042543-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE BAYER HEALTHCARE LLC (US) 2009-04-02 WO claimed
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 FLT3 379/4885KDR 1946/4885KIT 982/4885

“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.