SCHEMBL13870780

SCHEMBL13870780

CNC(=O)NCc1cc(N)n(C(C)(C)C)n1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ RET P07949 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ P2RX7 Q99572 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ ACSS2 Q9NR19 1/20 0.31
▸ MAPK14 Q16539 2/20 0.30
▸ MAPK13 O15264 1/20 0.30
▸ MAPK12 P53778 1/20 0.30
▸ MAPK11 Q15759 1/20 0.30
▸ EPHX2 P34913 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ PPIB P23284 1/20 0.30
▸ PPIA P62937 1/20 0.30
▸ PPID Q08752 1/20 0.30
▸ PPIG Q13427 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL13870756 0.86 MTNR1A (0.35) HSD17B10SMN1; SMN2RETKDRATM
SCHEMBL13870776 0.81 HTT (0.44) HTTHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL13870783 0.79 HTT (0.35) HTTHSD17B10SMN1; SMN2P2RX7ACSS2
SCHEMBL13870778 0.77 HTT (0.34) HTTSMN1; SMN2RETKDRP2RX7
SCHEMBL13870781 0.74 CYP1A2 (0.47) SMN1; SMN2P2RX7MAPK14MAPK13MAPK12
SCHEMBL13870773 0.73 PDE7A (0.38) HTTSMN1; SMN2P2RX7
SCHEMBL13870640 0.70 HTT (0.61) HTTHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL13853522 0.70 HTT (0.45) HTTHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL13870744 0.67 SMN1; SMN2 (0.39) HTTSMN1; SMN2EPHX2
SCHEMBL13870748 0.66 MTNR1A (0.39) HTTSMN1; SMN2ALDH1A1

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 2 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 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 HTT 898/4885HSD17B10 1509/4885SMN1; SMN2 3392/4885

“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.

Send feedback