SCHEMBL3582571

SCHEMBL3582571

CCOC(=O)c1nc(Cc2ccccc2F)c(N)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.46
KMT2A Q03164 3/20 0.46
RAB9A P51151 2/20 0.46
ALDH1A1 P00352 7/20 0.46
KDM4E B2RXH2 3/20 0.46
HPGD P15428 2/20 0.46
HTT P42858 1/20 0.46
RECQL P46063 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
SLC26A6 Q9BXS9 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ATM Q13315 1/20 0.42
HSD17B10 Q99714 3/20 0.42
GAA P10253 2/20 0.42
GLA P06280 1/20 0.42
TSHR P16473 1/20 0.42
POLB P06746 1/20 0.40
PTGES O14684 1/20 0.40
ALOX5 P09917 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL17324405 0.77 KMT2A (0.50) NPC1KMT2ARAB9AALDH1A1KDM4E
SCHEMBL5779565 0.75 L3MBTL1 (0.48) NPC1KMT2ARAB9AALDH1A1KDM4E
SCHEMBL20140811 0.75 F2 (0.39) NPC1KMT2ARAB9AALDH1A1KDM4E
SCHEMBL17610937 0.72 NPC1 (0.47) NPC1KMT2ARAB9AALDH1A1KDM4E
SCHEMBL20551356 0.71 ALDH1A1 (0.47) NPC1KMT2ARAB9AALDH1A1KDM4E
SCHEMBL16796436 0.71 KMT2A (0.48) NPC1KMT2ARAB9AALDH1A1KDM4E
SCHEMBL6060905 0.71 KDM4E (0.40) NPC1KMT2ARAB9AALDH1A1KDM4E
SCHEMBL9987853 0.70 ALDH1A1 (0.48) NPC1KMT2ARAB9AALDH1A1KDM4E
SCHEMBL2523099 0.70 ALDH1A1 (0.61) NPC1KMT2ARAB9AALDH1A1KDM4E
SCHEMBL15964752 0.69 TP53 (0.49) NPC1KMT2ARAB9AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309551-B2 Pyrazolopyridine, indazole, imidazopyridine, imidazopyrimidine, pyrazolopyrazine and pyrazolopyridine derivatives as stimulators of guanylate cyclase for cardiovascular disorders BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-11-13 US disclosed
US-8309551-B2 Pyrazolopyridine, indazole, imidazopyridine, imidazopyrimidine, pyrazolopyrazine and pyrazolopyridine derivatives as stimulators of guanylate cyclase for cardiovascular disorders BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-11-13 US disclosed
US-8309551-B2 Pyrazolopyridine, indazole, imidazopyridine, imidazopyrimidine, pyrazolopyrazine and pyrazolopyridine derivatives as stimulators of guanylate cyclase for cardiovascular disorders BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-11-13 US disclosed
US-20100029653-A1 PYRAZOLOPYRIDINE, INDAZOLE, IMIDAZOPYRIDINE, IMIDAZOPYRIMIDINE, PYRAZOLOPYRAZINE AND PYRAZOLOPYRIDINE DERIVATIVES AS STIMULATORS OF GUANYLATE CYCLASE FOR CARDIOVASCULAR DISORDERS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-04 US disclosed
US-20100029653-A1 PYRAZOLOPYRIDINE, INDAZOLE, IMIDAZOPYRIDINE, IMIDAZOPYRIMIDINE, PYRAZOLOPYRAZINE AND PYRAZOLOPYRIDINE DERIVATIVES AS STIMULATORS OF GUANYLATE CYCLASE FOR CARDIOVASCULAR DISORDERS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-04 US disclosed
US-20100029653-A1 PYRAZOLOPYRIDINE, INDAZOLE, IMIDAZOPYRIDINE, IMIDAZOPYRIMIDINE, PYRAZOLOPYRAZINE AND PYRAZOLOPYRIDINE DERIVATIVES AS STIMULATORS OF GUANYLATE CYCLASE FOR CARDIOVASCULAR DISORDERS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-04 US disclosed
EP-2066666-A1 PYRAZOLOPYRIDINE, INDAZOLE, IMIDAZOPYRIDINE, IMIDAZOPYRIMIDINE, PYRAZOLOPYRAZINE AND PYRAZOLOPYRIDINE DERIVATES AS STIMULATORS OF GUANYLATE CYCLASE FOR CARDIOVASCULAR DISORDERS Bayer Schering Pharma Aktiengesellschaft (DE) 2009-06-10 EP disclosed
WO-2008031513-A1 PYRAZOLOPYRIDINE, INDAZOLE, IMIDAZOPYRIDINE, IMIDAZOPYRIMIDINE, PYRAZOLOPYRAZINE AND PYRAZOLOPYRIDINE DERIVATES AS STIMULATORS OF GUANYLATE CYCLASE FOR CARDIOVASCULAR DISORDERS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-20 WO disclosed
WO-2008031513-A1 PYRAZOLOPYRIDINE, INDAZOLE, IMIDAZOPYRIDINE, IMIDAZOPYRIMIDINE, PYRAZOLOPYRAZINE AND PYRAZOLOPYRIDINE DERIVATES AS STIMULATORS OF GUANYLATE CYCLASE FOR CARDIOVASCULAR DISORDERS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-20 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 (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-20100029653-A1 PYRAZOLOPYRIDINE, INDAZOLE, IMIDAZOPYRIDINE, IMIDAZOPYRIMIDINE, PYRAZOLOPYRAZINE AND PYRAZOLOPYRIDINE DERIVATIVES AS STIMULATORS OF GUANYLATE CYCLASE FOR CARDIOVASCULAR DISORDERS PDE3A, PDE2A, PDE3B NPC1 3238/4885KMT2A 4336/4885RAB9A 2999/4885

“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.