SCHEMBL4078477

SCHEMBL4078477

CN(C)CCN(C)C(=O)Nc1nc2c(s1)-c1c(cnn1-c1ccccc1Cl)C2

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GCK P35557 4/20 0.35
MAPK14 Q16539 10/20 0.35
PI4KA P42356 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
HPGD P15428 1/20 0.34
HDAC9 Q9UKV0 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.32
WNT3A P56704 1/20 0.32

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
SCHEMBL4078693 0.89 MAPK14 (0.38) GCKMAPK14PI4KAPI4KBHPGD
SCHEMBL4075117 0.88 MEN1 (0.43) GCKMAPK14PI4KAPI4KBHPGD
SCHEMBL2143887 0.88 GCK (0.38) GCKMAPK14HDAC9ALDH1A1MAPT
SCHEMBL4075021 0.88 ATM (0.37) HPGDALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL13870441 0.84 HPGD (0.45) GCKMAPK14PI4KAPI4KBHPGD
SCHEMBL4079304 0.83 PI4KA (0.39) GCKMAPK14PI4KAPI4KBHPGD
SCHEMBL13870458 0.81 MAPK14 (0.36) GCKMAPK14PI4KAPI4KBHPGD
SCHEMBL13870489 0.80 NPC1 (0.48) GCKMAPK14PI4KAPI4KBHPGD
SCHEMBL13870481 0.77 MAPT (0.41) MAPK14PI4KAPI4KBALDH1A1MAPT
SCHEMBL4078512 0.76 KDM4E (0.37) HPGDALDH1A1MAPTSMN1; SMN2LMNA

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 GCK 1085/4885MAPK14 3336/4885PI4KA 4597/4885

“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.