SCHEMBL13870764

SCHEMBL13870764

CCOC(=O)Cn1nc(CCNC(=O)NC)cc1N

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
TSHR P16473 3/20 0.49
MAPK1 P28482 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 2/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 2/20 0.38
RAB9A P51151 1/20 0.38
CYP2C19 P33261 2/20 0.38
PKM P14618 1/20 0.37
ATM Q13315 1/20 0.37
KMT2A Q03164 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL13870748 0.83 MTNR1A (0.39) ALDH1A1SMN1; SMN2KDM4EPOLBKMT2A
SCHEMBL13870757 0.81 MTNR1A (0.38) ALDH1A1MAPK1SMN1; SMN2NPC1KDM4E
SCHEMBL13870768 0.80 MTNR1A (0.34)
SCHEMBL13870760 0.79 MTNR1A (0.36) ALDH1A1NPC1KDM4ECYP2C19KMT2A
SCHEMBL13870766 0.79 MTNR1A (0.35) ALDH1A1SMN1; SMN2POLBKMT2A
SCHEMBL13870759 0.78 MTNR1A (0.37) TSHRSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL13870744 0.77 SMN1; SMN2 (0.39) SMN1; SMN2LMNAPOLBKMT2AHTT
SCHEMBL13870763 0.77 KCNJ6 (0.34) LMNA
SCHEMBL13870756 0.76 MTNR1A (0.35) ALDH1A1TSHRSMN1; SMN2NPC1KDM4E
SCHEMBL15656246 0.75 ALDH1A1 (0.61) ALDH1A1TSHRMAPK1SMN1; SMN2NPC1

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 ALDH1A1 115/4885TSHR 190/4885MAPK1 2652/4885

“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.