SCHEMBL972175

SCHEMBL972175

CN1CCN(c2ccc3nc(Nc4ccc(-c5c(C(=O)NCC(F)(F)F)cn6ncnc(N)c56)cc4)[nH]c3c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.40
PIK3CD O00329 1/20 0.39
PIK3CB P42338 1/20 0.39
MTOR P42345 1/20 0.39
MAPK14 Q16539 1/20 0.38
PRKD1 Q15139 1/20 0.38
FGFR1 P11362 4/20 0.37
PDGFRB P09619 3/20 0.37
KDR P35968 3/20 0.37
BRD4 O60885 4/20 0.37
TBK1 Q9UHD2 3/20 0.37
FLT3 P36888 2/20 0.36
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
IKBKE Q14164 1/20 0.36
RPS6KA6 Q9UK32 1/20 0.36
PTGES O14684 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TOP1 P11387 1/20 0.36
TOP2A P11388 1/20 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
SCHEMBL939867 0.93 PIK3CA (0.43) PIK3CDPIK3CBMTORMAPK14TBK1
SCHEMBL939309 0.87 AURKB (0.38) FGFR1KDRTBK1FLT3
SCHEMBL941158 0.86 RAF1 (0.39) MAPK14FGFR1KDRTBK1FLT3
SCHEMBL940283 0.86 FGFR1 (0.36) PIK3CDPIK3CBMTORFGFR1TBK1
SCHEMBL940272 0.86 MEN1 (0.43) MAPK14FGFR1TBK1FLT3CCNT1
SCHEMBL940095 0.86 AURKB (0.40) MAPK14FGFR1KDRTBK1ALDH1A1
SCHEMBL939356 0.86 POLB (0.43) FGFR1KDRTBK1PTGESALDH1A1
SCHEMBL938958 0.86 RAF1 (0.39) PIK3CDPIK3CBMTORMAPK14FGFR1
SCHEMBL939068 0.86 FGFR1 (0.40) FGFR1KDRTBK1ALDH1A1
SCHEMBL940043 0.86 PIK3CA (0.42) PIK3CDPIK3CBMTORFGFR1TBK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957078-B1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE BAYER HEALTHCARE LLC (US) 2013-08-28 EP disclosed
EP-1957078-B1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE BAYER HEALTHCARE LLC (US) 2013-08-28 EP disclosed
US-8338594-B2 Pyrrolotriazine derivatives useful for treating cancer through inhibition of aurora kinase BAYER HEALTHCARE LLC (US) 2012-12-25 US disclosed
US-8338594-B2 Pyrrolotriazine derivatives useful for treating cancer through inhibition of aurora kinase BAYER HEALTHCARE LLC (US) 2012-12-25 US disclosed
US-8338594-B2 Pyrrolotriazine derivatives useful for treating cancer through inhibition of aurora kinase BAYER HEALTHCARE LLC (US) 2012-12-25 US disclosed
US-20110021518-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE BAYER HEALTHCARE LLC. (US) 2011-01-27 US disclosed
US-20110021518-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE BAYER HEALTHCARE LLC. (US) 2011-01-27 US disclosed
US-20110021518-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE BAYER HEALTHCARE LLC. (US) 2011-01-27 US disclosed
EP-1957078-A2 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE Bayer Healthcare, LLC (US) 2008-08-20 EP disclosed
WO-2007064932-A2 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE BAYER HEALTHCARE LLC. (US) 2007-06-07 WO disclosed
WO-2007064932-A2 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE BAYER HEALTHCARE LLC. (US) 2007-06-07 WO 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-20110021518-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE AURKC, AURKA, PLK1 KCNH2 2182/4885PIK3CD 147/4885PIK3CB 92/4885

“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.