SCHEMBL744917

SCHEMBL744917

Cc1cccc(NC(=O)Nc2ccc(-c3c(C(=O)NC4CC4)cn4ncnc(N)c34)cc2Cl)n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.43
CSNK2A2 P19784 5/20 0.41
CSNK2A1 P68400 5/20 0.41
NTRK2 Q16620 2/20 0.39
AURKA O14965 2/20 0.39
AURKB Q96GD4 2/20 0.39
CRHR1 P34998 1/20 0.39
RAB9A P51151 3/20 0.38
MAPT P10636 2/20 0.38
GBA1 P04062 1/20 0.38
MAPK11 Q15759 1/20 0.38
NTRK1 P04629 1/20 0.38
NPC1 O15118 2/20 0.37
TNK2 Q07912 1/20 0.37
KIT P10721 1/20 0.37
KDR P35968 1/20 0.37
FLT3 P36888 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
SCHEMBL744251 0.92 MAPK14 (0.43) MAPK14CSNK2A2CSNK2A1NTRK2AURKA
SCHEMBL762327 0.89 SORT1 (0.43) NTRK2AURKAAURKBRAB9AMAPT
SCHEMBL742990 0.89 MAPK14 (0.40) MAPK14NTRK2AURKAAURKBRAB9A
SCHEMBL742685 0.89 FGFR1 (0.46) MAPK14NTRK2AURKAAURKBRAB9A
SCHEMBL3616001 0.88 AURKB (0.49) MAPK14CSNK2A2CSNK2A1NTRK2AURKA
SCHEMBL742768 0.87 NTRK2 (0.43) MAPK14NTRK2AURKAAURKBRAB9A
SCHEMBL743360 0.86 FGFR1 (0.38) NTRK2AURKAAURKBRAB9AMAPT
SCHEMBL741772 0.86 EGFR (0.41) NTRK2RAB9AMAPTGBA1NTRK1
SCHEMBL15221964 0.85 AURKB (0.53) MAPK14NTRK2AURKAAURKBRAB9A
SCHEMBL761907 0.84 KDM4E (0.38) NTRK2AURKAAURKBRAB9AMAPT

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
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
EP-2203060-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE Bayer Healthcare, LLC (US) 2010-07-07 EP disclosed
WO-2009042543-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE BAYER HEALTHCARE LLC (US) 2009-04-02 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-20100273800-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE AURKC, AURKA, PLK1 MAPK14 1250/4885CSNK2A2 284/4885CSNK2A1 254/4885

“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.