SCHEMBL3323652

SCHEMBL3323652

COc1cc2nc(Cl)nc(NC3CC3)c2cc1OC

nearest known ligand 0.81

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 11/20 0.81
CCR4 P51679 1/20 0.64
NSD2 O96028 4/20 0.58
HTT P42858 1/20 0.58
EHMT1 Q9H9B1 7/20 0.56
EGFR P00533 2/20 0.55
KDR P35968 2/20 0.55
IRAK4 Q9NWZ3 1/20 0.53

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
SCHEMBL17122602 0.93 EHMT2 (0.76) EHMT2CCR4NSD2EHMT1
SCHEMBL15280231 0.93 EHMT2 (0.76) EHMT2CCR4NSD2EHMT1
SCHEMBL12526929 0.91 EHMT2 (0.72) EHMT2CCR4NSD2HTTEHMT1
Hydrochloric Acid SCHEMBL1748340 0.90 EHMT2 (0.71) EHMT2CCR4NSD2HTTEHMT1
SCHEMBL29809532 0.90 EHMT2 (1.00) EHMT2NSD2EHMT1
Hydrochloric Acid SCHEMBL23360133 0.90 EHMT2 (0.71) EHMT2CCR4NSD2HTTEHMT1
Hydrochloric Acid SCHEMBL29862852 0.90 EHMT2 (0.71) EHMT2CCR4NSD2HTTEHMT1
SCHEMBL15280254 0.90 EHMT2 (1.00) EHMT2NSD2EHMT1
SCHEMBL31298948 0.88 EHMT2 (0.68) EHMT2CCR4NSD2HTTEHMT1
SCHEMBL31016438 0.88 EHMT2 (0.79) EHMT2CCR4NSD2EHMT1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346848-B1 QUINAZOLINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2013-02-27 EP disclosed
US-8318749-B2 Quinazoline derivatives as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-11-27 US disclosed
US-20100125078-A1 QUINAZOLINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-05-20 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-20100125078-A1 QUINAZOLINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS SLC6A3, OPRK1, HTR3A EHMT2 3673/4885CCR4 2953/4885NSD2 3069/4885

“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.