SCHEMBL4083559

SCHEMBL4083559

CN(C)CCNC(=O)Nc1nc2c(s1)-c1c(cnn1-c1ccccc1)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.42
MAPK1 P28482 2/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
ATM Q13315 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
PI4KA P42356 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
LCK P06239 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PIK3CD O00329 1/20 0.36
TP53 P04637 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL5552332 0.92 PI4KA (0.42) ABL1MAPK1NPC1RAB9AATM
SCHEMBL4075117 0.88 MEN1 (0.43) ABL1MAPK1NPC1RAB9AATM
SCHEMBL4515566 0.87 ACHE (0.40) NPC1RAB9AMEN1KMT2AGSK3A
SCHEMBL4075021 0.87 ATM (0.37) NPC1RAB9AATMSMN1; SMN2MEN1
SCHEMBL4078512 0.84 KDM4E (0.37) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2143929 0.83 PIK3CG (0.44) MAPK1NPC1RAB9AMEN1KMT2A
SCHEMBL4082373 0.81 RIPK2 (0.37) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL5556947 0.80 NPC1 (0.47) ABL1NPC1RAB9ASMN1; SMN2PI4KA
SCHEMBL2143748 0.80 ACHE (0.39) NPC1RAB9ASMN1; SMN2PI4KAPI4KB
SCHEMBL11952566 0.79 PI4KB (0.41) MAPK1NPC1RAB9ASMN1; SMN2PI4KA

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 ABL1 1646/4885MAPK1 2652/4885NPC1 2801/4885

“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.