SCHEMBL4079304

SCHEMBL4079304

CNC(=O)Nc1nc2c(s1)-c1c(cnn1-c1ccccc1Cl)C2

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
MAPK14 Q16539 11/20 0.38
HPGD P15428 1/20 0.37
HDAC9 Q9UKV0 1/20 0.36
GCK P35557 2/20 0.36
ALDH1A1 P00352 2/20 0.36
PKM P14618 1/20 0.35
MAPT P10636 2/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.33
PDE9A O76083 1/20 0.33

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
SCHEMBL13870441 0.90 HPGD (0.45) PI4KAPI4KBMAPK14HPGDHDAC9
SCHEMBL4078693 0.87 MAPK14 (0.38) PI4KAPI4KBMAPK14HPGDHDAC9
SCHEMBL13870489 0.87 NPC1 (0.48) PI4KAPI4KBMAPK14HPGDGCK
SCHEMBL4075117 0.86 MEN1 (0.43) PI4KAPI4KBMAPK14HPGDHDAC9
SCHEMBL13870458 0.85 MAPK14 (0.36) PI4KAPI4KBMAPK14HPGDHDAC9
SCHEMBL13870481 0.84 MAPT (0.41) PI4KAPI4KBMAPK14ALDH1A1MAPT
SCHEMBL4078477 0.83 GCK (0.35) PI4KAPI4KBMAPK14HPGDHDAC9
SCHEMBL2143887 0.83 GCK (0.38) MAPK14HDAC9GCKALDH1A1MAPT
SCHEMBL4088399 0.81 LMNA (0.41) PI4KAPI4KBMAPK14ALDH1A1MAPT
SCHEMBL2143855 0.79 ADORA1 (0.40) MAPK14HDAC9ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7517995-B2 Thiazolyl-dihydro-cyclopentapyrazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-14 US claimed
US-20070238730-A1 THIAZOLYL-DIHYDRO-CYCLOPENTAPYRAZOLE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 US claimed
US-7517995-B2 Thiazolyl-dihydro-cyclopentapyrazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-14 US disclosed
US-20070238730-A1 THIAZOLYL-DIHYDRO-CYCLOPENTAPYRAZOLE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 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 (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-20070238730-A1 THIAZOLYL-DIHYDRO-CYCLOPENTAPYRAZOLE REN, ROR1, RORB PI4KA 4597/4885PI4KB 4744/4885MAPK14 3336/4885

“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.