SCHEMBL564532

SCHEMBL564532

NNc1cc(N2CCCOCC2)ncn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 1/20 0.56
EGFR P00533 2/20 0.52
ERBB3 P21860 2/20 0.52
NPC1 O15118 5/20 0.51
ALDH1A1 P00352 1/20 0.51
ATM Q13315 1/20 0.51
RAB9A P51151 5/20 0.49
CYP2C19 P33261 1/20 0.49
ABL1 P00519 1/20 0.48
BCR P11274 1/20 0.48
KMO O15229 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
KMT2A Q03164 1/20 0.47
ELOVL1 Q9BW60 1/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TP53 P04637 1/20 0.43

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
SCHEMBL1597538 0.94 PIK3CB (0.58) PIK3CBEGFRERBB3NPC1ALDH1A1
SCHEMBL3819188 0.86 SMN1; SMN2 (0.51) PIK3CBNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL2567649 0.84 SMN1; SMN2 (0.54) PIK3CBNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL30828973 0.80 CYP2C19 (0.53) PIK3CBEGFRERBB3NPC1ALDH1A1
SCHEMBL26647473 0.80 CYP2C19 (0.53) PIK3CBEGFRERBB3NPC1ALDH1A1
Hydrochloric Acid SCHEMBL21179468 0.79 PIK3CB (0.44) PIK3CBEGFRERBB3NPC1ALDH1A1
SCHEMBL5029660 0.78 PIK3CB (0.58) PIK3CBEGFRERBB3NPC1ALDH1A1
SCHEMBL564537 0.77 CYP2C19 (0.53) PIK3CBEGFRERBB3NPC1ALDH1A1
SCHEMBL31110333 0.77 CYP2C19 (0.68) PIK3CBEGFRERBB3NPC1ALDH1A1
SCHEMBL28051953 0.76 NPC1 (0.56) PIK3CBEGFRERBB3NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2265602-B1 SUBSTITUTED DIHYDROPYRAZOLONES AS INHIBITORS OF HIF-PROLYL-4-HYDROXYLASES BAYER IP GMBH (DE) 2015-04-08 EP disclosed
EP-2265602-B1 SUBSTITUTED DIHYDROPYRAZOLONES AS INHIBITORS OF HIF-PROLYL-4-HYDROXYLASES BAYER IP GMBH (DE) 2015-04-08 EP disclosed
US-20140038938-A1 Substituted dihydropyrazolones and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-06 US disclosed
US-20140038938-A1 Substituted dihydropyrazolones and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-06 US disclosed
US-8580778-B2 Substituted dihydropyrazolones and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-11-12 US disclosed
US-8580778-B2 Substituted dihydropyrazolones and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-11-12 US disclosed
US-8580778-B2 Substituted dihydropyrazolones and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-11-12 US disclosed
US-20120035151-A1 SUBSTITUTED DIHYDROPYRAZOLONES AND THEIR USE BAYER HARMA AKTIENGESELLSCHAFT (DE) 2012-02-09 US disclosed
US-20120035151-A1 SUBSTITUTED DIHYDROPYRAZOLONES AND THEIR USE BAYER HARMA AKTIENGESELLSCHAFT (DE) 2012-02-09 US disclosed
US-20120035151-A1 SUBSTITUTED DIHYDROPYRAZOLONES AND THEIR USE BAYER HARMA AKTIENGESELLSCHAFT (DE) 2012-02-09 US disclosed
US-8067407-B2 Substituted dihydropyrazolones and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-29 US disclosed
US-8067407-B2 Substituted dihydropyrazolones and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-29 US disclosed
US-8067407-B2 Substituted dihydropyrazolones and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-29 US disclosed
EP-2265602-A1 SUBSTITUTED DIHYDROPYRAZOLONES AS INHIBITORS OF HIF-PROLYL-4-HYDROXYLASES Bayer Schering Pharma Aktiengesellschaft (DE) 2010-12-29 EP disclosed
US-20090269420-A1 SUBSTITUTED DIHYDROPYRAZOLONES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-10-29 US disclosed
US-20090269420-A1 SUBSTITUTED DIHYDROPYRAZOLONES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-10-29 US disclosed
US-20090269420-A1 SUBSTITUTED DIHYDROPYRAZOLONES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-10-29 US disclosed
WO-2009129945-A1 SUBSTITUTED DIHYDROPYRAZOLONES AS INHIBITORS OF HIF-PROLYL-4-HYDROXYLASES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-10-29 WO disclosed
WO-2009129945-A1 SUBSTITUTED DIHYDROPYRAZOLONES AS INHIBITORS OF HIF-PROLYL-4-HYDROXYLASES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-10-29 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-20140038938-A1 Substituted dihydropyrazolones and their use GLS, ATP6V1B1, PFKP PIK3CB 400/4885EGFR 4005/4885ERBB3 4408/4885
US-20090269420-A1 SUBSTITUTED DIHYDROPYRAZOLONES AND THEIR USE GLS, ATP6V1B1, PFKP PIK3CB 400/4885EGFR 4005/4885ERBB3 4408/4885
US-20120035151-A1 SUBSTITUTED DIHYDROPYRAZOLONES AND THEIR USE GLS, ATP6V1B1, PFKP PIK3CB 400/4885EGFR 4005/4885ERBB3 4408/4885

“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.