SCHEMBL291823

SCHEMBL291823

c1cnc2nc(N3CCNCC3)ncc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 14/20 0.49
KDM4E B2RXH2 1/20 0.49
CASP1 P29466 14/20 0.48
CYP1A2 P05177 13/20 0.48
CASP7 P55210 13/20 0.48
HSD17B10 Q99714 13/20 0.48
HPGD P15428 8/20 0.48
CYP3A4 P08684 6/20 0.48
TSHR P16473 3/20 0.48
CYP2C19 P33261 3/20 0.48
ADRB1 P08588 1/20 0.45
USP2 O75604 5/20 0.44
CYP2C9 P11712 6/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HRH1 P35367 1/20 0.43
GLA P06280 3/20 0.42
HIF1A Q16665 3/20 0.42
TAAR1 Q96RJ0 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL15263344 0.84 ALDH1A1 (0.41) ALDH1A1CASP1CYP1A2CASP7HSD17B10
SCHEMBL30313619 0.80 PIK3CA (0.52) ALDH1A1KDM4ECASP1CYP1A2CASP7
SCHEMBL11078075 0.78 KDM4E (0.54) ALDH1A1KDM4EADRB1TAAR1
SCHEMBL10721643 0.78 ALDH1A1 (0.54) ALDH1A1KDM4ECASP1CYP1A2CASP7
SCHEMBL10869896 0.76 ALDH1A1 (0.37) ALDH1A1KDM4ECASP1CYP1A2CASP7
SCHEMBL2508000 0.72 SCD (0.49) ALDH1A1KDM4ECASP1CYP1A2CASP7
SCHEMBL10502433 0.72 ALDH1A1 (0.47) ALDH1A1KDM4ECASP1CYP1A2CASP7
SCHEMBL7311364 0.72 ALDH1A1 (0.47) ALDH1A1KDM4ECASP1CYP1A2CASP7
SCHEMBL7269241 0.71 ROCK2 (0.50) ALDH1A1KDM4ECASP1CYP1A2CASP7
SCHEMBL795485 0.71 ALDH1A1 (0.46) ALDH1A1KDM4ECASP1CYP1A2CASP7

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0134922-B1 2-PIPERAZINO-PTERIDINES, PROCESSES FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THESE COMPOUNDS Dr. Karl Thomae GmbH (DE) 1988-12-14 EP claimed
EP-0134922-A1 2-Piperazino-pteridines, processes for their preparation and medicaments containing these compounds Dr. Karl Thomae GmbH (DE) 1985-03-27 EP claimed
US-8877756-B2 Substituted pteridines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-04 US disclosed
EP-2032585-B1 SUBSTITUTED PTERIDINES AS THERAPEUTIC AGENTS BOEHRINGER INGELHEIM INT (DE) 2014-07-23 EP disclosed
EP-2029600-B1 SUBSTITUTED PTERIDINES SUBSTITUTED WITH A FOUR-MEMBERED HETEROCYCLE BOEHRINGER INGELHEIM INT (DE) 2012-03-14 EP disclosed
EP-1819708-B1 SUBSTITUTED PTERIDINES FOR TREATING INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INT (DE) 2012-01-11 EP disclosed
US-20100234347-A1 Substituted Pteridines substituted with a Four-Membered Heterocycle BOEHRINGER INGELHEIM INTERNATIONL GMBH (DE) 2010-09-16 US disclosed
US-7750009-B2 Substituted pteridines for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-06 US disclosed
US-7718654-B2 Substituted pteridines for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-18 US disclosed
US-20100120766-A1 Substituted Pteridines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-13 US disclosed
US-7674788-B2 7-amino-6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-yl-pteridine; central nervous system, respiratory, gastrointestinal or inflammatory diseases; joints, skin or eyes diseases; cancer; phosphodiesterase 4 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-09 US disclosed
WO-2003062240-A1 PTERIDINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF FAUSTUS FORSCHUNGS CIE. TRANSLATIONAL CANCER RESEARCH GMBH (DE) 2003-07-31 WO disclosed
EP-0134922-B1 2-PIPERAZINO-PTERIDINES, PROCESSES FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THESE COMPOUNDS Dr. Karl Thomae GmbH (DE) 1988-12-14 EP disclosed
EP-0134922-B1 2-PIPERAZINO-PTERIDINES, PROCESSES FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THESE COMPOUNDS Dr. Karl Thomae GmbH (DE) 1988-12-14 EP disclosed
EP-0185259-A2 Pteridines, process for their preparation, and their use as intermediates or as medicaments Dr. Karl Thomae GmbH (DE) 1986-06-25 EP disclosed
US-4560685-A 2-Piperazino-pteridines useful as antithrombotics and antimetastatics DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1985-12-24 US disclosed
US-4560685-A 2-Piperazino-pteridines useful as antithrombotics and antimetastatics DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1985-12-24 US disclosed
EP-0134922-A1 2-Piperazino-pteridines, processes for their preparation and medicaments containing these compounds Dr. Karl Thomae GmbH (DE) 1985-03-27 EP disclosed
EP-0134922-A1 2-Piperazino-pteridines, processes for their preparation and medicaments containing these compounds Dr. Karl Thomae GmbH (DE) 1985-03-27 EP disclosed
EP-0134922-A1 2-Piperazino-pteridines, processes for their preparation and medicaments containing these compounds Dr. Karl Thomae GmbH (DE) 1985-03-27 EP 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 (2 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-20100120766-A1 Substituted Pteridines PMP22, TLR5, NQO1 ALDH1A1 1539/4885KDM4E 2785/4885CASP1 2406/4885
US-20100234347-A1 Substituted Pteridines substituted with a Four-Membered Heterocycle UACA, LTC4S, PMP22 ALDH1A1 894/4885KDM4E 3502/4885CASP1 822/4885

“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.