SCHEMBL4075117

SCHEMBL4075117

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LCK P06239 2/20 0.42
PI4KA P42356 1/20 0.42
PI4KB Q9UBF8 1/20 0.42
ABL1 P00519 1/20 0.40
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
FGFR1 P11362 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
GCK P35557 1/20 0.35
MAPK14 Q16539 1/20 0.35
UBE2N P61088 1/20 0.34
HPGD P15428 1/20 0.34
RAD52 P43351 1/20 0.34
GHSR Q92847 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
ATM Q13315 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
SCHEMBL13870489 0.89 NPC1 (0.48) LCKPI4KAPI4KBNPC1RAB9A
SCHEMBL4078477 0.88 GCK (0.35) PI4KAPI4KBMAPK1SMN1; SMN2GCK
SCHEMBL2143887 0.88 GCK (0.38) NPC1RAB9AMAPK1SMN1; SMN2GCK
SCHEMBL4083559 0.88 ABL1 (0.42) MEN1KMT2ALCKPI4KAPI4KB
SCHEMBL4079304 0.86 PI4KA (0.39) PI4KAPI4KBMAPK1SMN1; SMN2GCK
SCHEMBL4078693 0.86 MAPK14 (0.38) PI4KAPI4KBMAPK1SMN1; SMN2GCK
SCHEMBL13870441 0.84 HPGD (0.45) MEN1KMT2API4KAPI4KBGCK
SCHEMBL13870481 0.83 MAPT (0.41) MEN1KMT2API4KAPI4KBMAPK1
SCHEMBL4088399 0.83 LMNA (0.41) PI4KAPI4KBMAPK14
SCHEMBL13870458 0.81 MAPK14 (0.36) PI4KAPI4KBMAPK1SMN1; SMN2GCK

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 3 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-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 MEN1 2898/4885KMT2A 4787/4885LCK 3163/4885

“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.