SCHEMBL1428017

SCHEMBL1428017

COc1cc2nc(Cl)nc(NC3CCN(C(=O)O)CC3)c2cc1OC

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 13/20 0.74
NSD2 O96028 5/20 0.61
EHMT1 Q9H9B1 8/20 0.54
WHR1 P49842 1/20 0.54
KDM1A O60341 2/20 0.53
RCOR1 Q9UKL0 2/20 0.53
DNMT3A Q9Y6K1 1/20 0.52
CCR4 P51679 1/20 0.51

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
SCHEMBL2334216 0.94 EHMT2 (0.68) EHMT2NSD2EHMT1WHR1KDM1A
SCHEMBL15280234 0.91 EHMT2 (0.74) EHMT2NSD2EHMT1WHR1KDM1A
SCHEMBL15280412 0.88 EHMT2 (0.68) EHMT2NSD2EHMT1WHR1KDM1A
SCHEMBL29613418 0.88 NSD2 (0.76) EHMT2NSD2EHMT1WHR1KDM1A
SCHEMBL1748471 0.88 NSD2 (0.76) EHMT2NSD2EHMT1WHR1KDM1A
SCHEMBL15280237 0.86 EHMT2 (0.66) EHMT2NSD2EHMT1KDM1ARCOR1
SCHEMBL15280254 0.85 EHMT2 (1.00) EHMT2NSD2EHMT1
SCHEMBL29809532 0.85 EHMT2 (1.00) EHMT2NSD2EHMT1
SCHEMBL3323652 0.85 EHMT2 (0.81) EHMT2NSD2EHMT1CCR4
SCHEMBL31016438 0.83 EHMT2 (0.79) EHMT2NSD2EHMT1CCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11655235-B2 Pyrrolidine and piperidine compounds YUHAN CORPORATION (KR) 2023-05-23 US disclosed
EP-4055014-A1 PYRROLIDINE AND PIPERIDINE COMPOUNDS Yuhan Corporation (KR) 2022-09-14 EP disclosed
US-20210147386-A1 PYRROLIDINE AND PIPERIDINE COMPOUNDS YUHAN CORPORATION (KR) 2021-05-20 US disclosed
US-8193203-B2 Bicyclic compounds having activity at the CXCR4 receptor ALLERGAN, INC. (US) 2012-06-05 US disclosed
EP-2300456-A1 BICYCLIC COMPOUNDS HAVING ACTIVITY AT THE CXCR4 RECEPTOR Allergan, Inc. (US) 2011-03-30 EP disclosed
US-20090312305-A1 BICYCLIC COMPOUNDS HAVING ACTIVITY AT THE CXCR4 RECEPTOR ALLERGAN, INC. (US) 2009-12-17 US disclosed
WO-2009143058-A1 BICYCLIC COMPOUNDS HAVING ACTIVITY AT THE CXCR4 RECEPTOR ALLERGAN, INC. (US) 2009-11-26 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 (3 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-11655235-B2 Pyrrolidine and piperidine compounds FAP, APC, VHL EHMT2 2701/4885NSD2 2667/4885EHMT1 2513/4885
US-20090312305-A1 BICYCLIC COMPOUNDS HAVING ACTIVITY AT THE CXCR4 RECEPTOR CXCR4, CXCR2, CXCL12 EHMT2 4669/4885NSD2 4654/4885EHMT1 4629/4885
US-20210147386-A1 PYRROLIDINE AND PIPERIDINE COMPOUNDS FAP, APC, VHL EHMT2 2701/4885NSD2 2667/4885EHMT1 2513/4885

“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.