SCHEMBL939409

SCHEMBL939409

Cn1ncc(C(=O)Nc2ccccc2)c1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
PRKCI P41743 1/20 0.50
SCN5A Q14524 1/20 0.49
SCN9A Q15858 1/20 0.49
HPGD P15428 3/20 0.49
POLB P06746 1/20 0.48
ALDH1A1 P00352 3/20 0.47
ROCK1 Q13464 1/20 0.47
PTPN11 Q06124 3/20 0.47
KDM4E B2RXH2 2/20 0.46
LMNA P02545 2/20 0.46
TP53 P04637 2/20 0.46
HSD17B10 Q99714 2/20 0.46
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NAMPT P43490 1/20 0.46

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
SCHEMBL7527555 0.82 NPC1 (0.52) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL11199757 0.82 RAB9A (0.60) NPC1RAB9ASMN1; SMN2HPGDPOLB
SCHEMBL11192921 0.80 EPHB3 (0.57) NPC1RAB9AHPGDPOLBKDM4E
SCHEMBL11194508 0.80 RAB9A (0.58) NPC1RAB9ASMN1; SMN2SCN9AHPGD
SCHEMBL11198610 0.80 ATM (0.55) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL11204732 0.79 HSD17B10 (0.48) SMN1; SMN2HPGDPOLBALDH1A1KDM4E
SCHEMBL937869 0.78 PKM (0.57) NPC1RAB9ASMN1; SMN2POLBALDH1A1
SCHEMBL11192370 0.78 MAPK14 (0.59) SMN1; SMN2HPGDPOLBALDH1A1KDM4E
SCHEMBL11197057 0.78 ALDH1A1 (0.54) NPC1RAB9ASCN5ASCN9AALDH1A1
SCHEMBL4672114 0.75 ALDH1A1 (0.46) NPC1RAB9ASCN9AHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11944626-B2 Small molecule inhibitors of ALDH and uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2024-04-02 US disclosed
EP-3471712-B1 SMALL MOLECULE INHIBITORS OF ALDH AND USES THEREOF UNIV MICHIGAN REGENTS (US) 2024-01-03 EP disclosed
US-20190255055-A1 SMALL MOLECULE INHIBITORS OF ALDH AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2019-08-22 US disclosed
US-20190255055-A1 SMALL MOLECULE INHIBITORS OF ALDH AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2019-08-22 US disclosed
EP-3471712-A1 SMALL MOLECULE INHIBITORS OF ALDH AND USES THEREOF The Regents of The University of Michigan (US) 2019-04-24 EP disclosed
WO-2017223086-A1 SMALL MOLECULE INHIBITORS OF ALDH AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-12-28 WO disclosed
US-20110021541-A1 INHIBITORS OF HUMAN PHOSPHATIDYL-INOSITOL 3-KINASE DELTA ICOS CORPORATION 2011-01-27 US disclosed
US-20110021541-A1 INHIBITORS OF HUMAN PHOSPHATIDYL-INOSITOL 3-KINASE DELTA ICOS CORPORATION 2011-01-27 US disclosed
US-20110021541-A1 INHIBITORS OF HUMAN PHOSPHATIDYL-INOSITOL 3-KINASE DELTA ICOS CORPORATION 2011-01-27 US disclosed
WO-2009064802-A2 INHIBITORS OF HUMAN PHOSPHATIDYL-INOSITOL 3-KINASE DELTA ELI LILLY & CO. (US) 2009-05-22 WO disclosed
US-4393217-A ANXIOLYTICS, ANTIDEPRESSANTS AMERICAN CYANAMID COMPANY (US) 1983-07-12 US 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-20110021541-A1 INHIBITORS OF HUMAN PHOSPHATIDYL-INOSITOL 3-KINASE DELTA PIK3CD, PI4KB, PI4KA NPC1 2860/4885RAB9A 845/4885SMN1; SMN2 3514/4885
US-11944626-B2 Small molecule inhibitors of ALDH and uses thereof ALDH2, ALDH1A1, ALDH3A1 NPC1 2059/4885RAB9A 2640/4885SMN1; SMN2 3775/4885
US-20190255055-A1 SMALL MOLECULE INHIBITORS OF ALDH AND USES THEREOF ALDH2, ALDH1A1, ALDH3A1 NPC1 2059/4885RAB9A 2640/4885SMN1; SMN2 3775/4885

“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.