SCHEMBL10123644

SCHEMBL10123644

COC(=O)Cc1cn(N)c(C#N)c1-c1ccc([N+](=O)[O-])c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
PDGFRB P09619 1/20 0.38
FGFR1 P11362 1/20 0.38
PDGFRA P16234 1/20 0.38
FLT1 P17948 1/20 0.38
FGFR3 P22607 1/20 0.38
KDR P35968 1/20 0.38
MAPT P10636 4/20 0.37
HTT P42858 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
F2 P00734 2/20 0.36
PRSS1 P07477 2/20 0.36
PRSS2 P07478 2/20 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
SCHEMBL765513 0.79 PDGFRB (0.39) ALDH1A1PDGFRBFGFR1PDGFRAFLT1
SCHEMBL742980 0.79 POLB (0.44) ALDH1A1MAPTLMNANPSR1HPGD
SCHEMBL765323 0.77 ALDH1A1 (0.33) ALDH1A1MAPTHTTGAAKDM4E
SCHEMBL762157 0.75 MERTK (0.33) ALDH1A1MAPTHTTCYP1A2CYP3A4
SCHEMBL764040 0.74 FGFR1 (0.39) ALDH1A1PDGFRBFGFR1PDGFRAFLT1
SCHEMBL4992802 0.70 ALDH1A1 (0.52) ALDH1A1PDGFRBFGFR1PDGFRAFLT1
SCHEMBL31722848 0.68 PDGFRB (0.60) ALDH1A1PDGFRBFGFR1PDGFRAFLT1
SCHEMBL31726681 0.68 PDGFRB (0.60) ALDH1A1PDGFRBFGFR1PDGFRAFLT1
SCHEMBL10123687 0.67 PDGFRB (0.39) ALDH1A1PDGFRBFGFR1PDGFRAFLT1
SCHEMBL731999 0.67 MEN1 (0.56) ALDH1A1PDGFRBFGFR1PDGFRAFLT1

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 2 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-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 ALDH1A1 3546/4885PDGFRB 2231/4885FGFR1 776/4885

“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.