SCHEMBL744356

SCHEMBL744356

Cc1cccc(NC(=O)Nc2ccc(-c3c(C(=O)NCC(C)C)cn4ncnc(N)c34)cc2F)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 1/20 0.40
FLT3 P36888 6/20 0.39
KDR P35968 3/20 0.39
KIT P10721 1/20 0.39
FGFR1 P11362 3/20 0.38
AURKB Q96GD4 5/20 0.37
AURKA O14965 5/20 0.37
RPS6KA3 P51812 3/20 0.37
NTRK1 P04629 2/20 0.37
NTRK2 Q16620 2/20 0.37
MAPK9 P45984 2/20 0.37
PRKCD Q05655 2/20 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
IKBKB O14920 1/20 0.37
EGFR P00533 1/20 0.37
FYN P06241 1/20 0.37
CDK1 P06493 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
SCHEMBL744085 0.92 FGFR1 (0.46) FLT3KDRKITFGFR1AURKB
SCHEMBL742347 0.91 MAPK14 (0.40) FLT3KDRKITFGFR1AURKB
SCHEMBL744854 0.90 FLT3 (0.38) FLT3KDRKITFGFR1AURKB
SCHEMBL744362 0.90 RAB9A (0.40) FLT3KDRKITAURKBAURKA
Bromide SCHEMBL741865 0.89 FLT3 (0.38) FLT3KDRKITFGFR1AURKB
Hydrochloric Acid SCHEMBL744245 0.89 FLT3 (0.38) FLT3KDRKITFGFR1AURKB
SCHEMBL743410 0.89 ATM (0.39) FLT3KDRKITFGFR1AURKB
SCHEMBL743943 0.88 FLT3 (0.39) FLT3KDRKITFGFR1AURKB
SCHEMBL15221976 0.88 AURKB (0.46) SHMT2FLT3KDRKITFGFR1
SCHEMBL746492 0.88 RAB9A (0.41) FLT3KDRKITFGFR1AURKB

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
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 SHMT2 572/4885FLT3 379/4885KDR 1946/4885

“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.