SCHEMBL741772

SCHEMBL741772

CCOC(=O)c1cn2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cccc(C)n2)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.41
ERBB2 P04626 6/20 0.41
MAPT P10636 5/20 0.40
TDP1 Q9NUW8 1/20 0.40
GAA P10253 1/20 0.39
KDM4E B2RXH2 1/20 0.39
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
GBA1 P04062 2/20 0.39
TP53 P04637 1/20 0.39
KDR P35968 2/20 0.39
NTRK2 Q16620 2/20 0.38
NTRK1 P04629 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAP2K1 Q02750 1/20 0.38

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
SCHEMBL765587 0.91 KDR (0.40) EGFRERBB2MAPTGAAKDM4E
SCHEMBL762327 0.90 SORT1 (0.43) MAPTKDM4ERAB9ANPC1GBA1
SCHEMBL761907 0.90 KDM4E (0.38) MAPTKDM4ERAB9ANPC1GBA1
SCHEMBL742685 0.89 FGFR1 (0.46) MAPTRAB9ANPC1GBA1KDR
SCHEMBL742990 0.88 MAPK14 (0.40) MAPTRAB9ANPC1GBA1KDR
SCHEMBL15221920 0.87 GBA1 (0.51) EGFRERBB2MAPTRAB9ANPC1
SCHEMBL744917 0.86 MAPK14 (0.43) MAPTRAB9ANPC1GBA1KDR
SCHEMBL765527 0.85 RAB9A (0.40) MAPTKDM4ERAB9ANPC1GBA1
SCHEMBL743360 0.85 FGFR1 (0.38) EGFRMAPTRAB9ANPC1GBA1
SCHEMBL742768 0.85 NTRK2 (0.43) MAPTRAB9ANPC1GBA1KDR

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 EGFR 1566/4885ERBB2 838/4885MAPT 1008/4885

“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.