SCHEMBL2882835

SCHEMBL2882835

CCn1c(-c2ccncc2)nc2cc(N)ccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.62
RAD52 P43351 1/20 0.62
ALDH1A1 P00352 2/20 0.59
HPGD P15428 2/20 0.59
HTT P42858 2/20 0.57
NLRP3 Q96P20 1/20 0.56
JAK2 O60674 1/20 0.49
JAK1 P23458 1/20 0.49
TYK2 P29597 1/20 0.49
JAK3 P52333 1/20 0.49
AAK1 Q2M2I8 1/20 0.48
RPS6KA5 O75582 12/20 0.47
RPS6KB1 P23443 1/20 0.45
CDK2 P24941 1/20 0.45
ROCK1 Q13464 1/20 0.45
DYRK1A Q13627 1/20 0.45
RPS6KA1 Q15418 1/20 0.45
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
CYP1A2 P05177 1/20 0.44

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
SCHEMBL11440211 0.90 KDM4E (0.73) KDM4ERAD52ALDH1A1HPGDHTT
SCHEMBL10252674 0.85 NLRP3 (0.76) KDM4ERAD52ALDH1A1HPGDHTT
SCHEMBL17199042 0.84 KDM4E (0.62) KDM4ERAD52ALDH1A1HPGDHTT
SCHEMBL1378639 0.84 CYP11B2 (0.62) KDM4ERAD52ALDH1A1HPGDHTT
SCHEMBL175221 0.80 NLRP3 (0.52) KDM4EALDH1A1HPGDHTTNLRP3
SCHEMBL616998 0.79 KDM4E (0.97) KDM4ERAD52ALDH1A1HPGDHTT
SCHEMBL11443284 0.78 KDM4E (0.74) KDM4ERAD52ALDH1A1HPGDHTT
Hydrochloric Acid SCHEMBL16736724 0.77 KDM4E (1.00) KDM4ERAD52ALDH1A1HPGDHTT
Hydrochloric Acid SCHEMBL6605580 0.77 KDM4E (1.00) KDM4ERAD52ALDH1A1HPGDHTT
SCHEMBL10252666 0.77 NLRP3 (0.58) KDM4EALDH1A1HPGDHTTNLRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946227-B2 Piperazine derivatives and methods of use MERCK SERONO SA (CH) 2015-02-03 US claimed
US-20130143893-A1 PIPERAZINE DERIVATIVES AND METHODS OF USE MERCK SERONO SA (CH) 2013-06-06 US claimed
EP-1542993-B1 PIPERAZINE DERIVATIVES AND METHODS OF USE MERCK SERONO SA (CH) 2012-12-19 EP claimed
US-20100305137-A1 PIPERAZINE DERIVATIVES AND METHODS OF USE MERCK SERONO SA (CH) 2010-12-02 US claimed
US-7754722-B2 Piperazine derivatives and methods of use MERCK SERONO SA (CH) 2010-07-13 US claimed
US-20060223813-A1 Piperazine Derivatives and Methods of Use MERCK SERONO SA (CH) 2006-10-05 US claimed
EP-1542993-A1 PIPERAZINE DERIVATIVES AND METHODS OF USE Applied Research Systems ARS Holding N.V. (AN) 2005-06-22 EP claimed
WO-2004031182-A1 PIPERAZINE DERIVATIVES AND METHODS OF USE APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2004-04-15 WO claimed
US-8946227-B2 Piperazine derivatives and methods of use MERCK SERONO SA (CH) 2015-02-03 US disclosed
US-20130143893-A1 PIPERAZINE DERIVATIVES AND METHODS OF USE MERCK SERONO SA (CH) 2013-06-06 US disclosed
EP-1542993-B1 PIPERAZINE DERIVATIVES AND METHODS OF USE MERCK SERONO SA (CH) 2012-12-19 EP disclosed
US-20100305137-A1 PIPERAZINE DERIVATIVES AND METHODS OF USE MERCK SERONO SA (CH) 2010-12-02 US disclosed
US-7754722-B2 Piperazine derivatives and methods of use MERCK SERONO SA (CH) 2010-07-13 US disclosed
US-20060223813-A1 Piperazine Derivatives and Methods of Use MERCK SERONO SA (CH) 2006-10-05 US disclosed
EP-1542993-A1 PIPERAZINE DERIVATIVES AND METHODS OF USE Applied Research Systems ARS Holding N.V. (AN) 2005-06-22 EP disclosed
WO-2004031182-A1 PIPERAZINE DERIVATIVES AND METHODS OF USE APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2004-04-15 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-20100305137-A1 PIPERAZINE DERIVATIVES AND METHODS OF USE CATSPER1, NASP, HDAC5 KDM4E 515/4885RAD52 3556/4885ALDH1A1 568/4885
US-20130143893-A1 PIPERAZINE DERIVATIVES AND METHODS OF USE CATSPER1, NASP, HDAC5 KDM4E 515/4885RAD52 3556/4885ALDH1A1 568/4885
US-20060223813-A1 Piperazine Derivatives and Methods of Use CATSPER1, H1-5, GNRHR KDM4E 1207/4885RAD52 2706/4885ALDH1A1 1182/4885

“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.