SCHEMBL742983

SCHEMBL742983

CCOC(=O)c1cn2ncnc(N)c2c1-c1ccc(N)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.46
ERBB2 P04626 4/20 0.46
JAK2 O60674 1/20 0.42
JAK3 P52333 1/20 0.42
KDR P35968 6/20 0.42
MAPK14 Q16539 1/20 0.41
TEAD2 Q15562 1/20 0.41
FGFR1 P11362 4/20 0.40
MAP2K1 Q02750 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL276495 0.88 EGFR (0.46) EGFRERBB2KDRMAPK14FGFR1
Hydrochloric Acid SCHEMBL275478 0.87 EGFR (0.45) EGFRERBB2KDRMAPK14FGFR1
SCHEMBL744286 0.87 EGFR (0.42) EGFRERBB2KDRMAPK14TEAD2
SCHEMBL276526 0.85 MAP2K1 (0.46) EGFRERBB2JAK2JAK3KDR
SCHEMBL761901 0.84 FGFR1 (0.36) EGFRERBB2KDRFGFR1ALDH1A1
SCHEMBL275481 0.82 MAPT (0.54) EGFRERBB2RAB9ASMN1; SMN2
SCHEMBL3611837 0.82 EGFR (0.49) EGFRERBB2JAK3KDRFGFR1
SCHEMBL15221845 0.81 EGFR (0.46) EGFRERBB2JAK3KDRMAPK14
SCHEMBL741772 0.80 EGFR (0.41) EGFRERBB2KDRMAP2K1KDM4E
SCHEMBL3621896 0.80 EGFR (0.59) EGFRERBB2JAK3KDRFGFR1

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 838/4885JAK2 809/4885

“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.