SCHEMBL9963675

SCHEMBL9963675

Cc1c2nc(NCC(=O)N3CCN(C)CC3)sc2c(C)c2nc(NCC(=O)N3CCCC3)sc12

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.55
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
FABP4 P15090 1/20 0.37
KDM1A O60341 1/20 0.36
MAOB P27338 1/20 0.36
STAT3 P40763 1/20 0.36
PRMT3 O60678 1/20 0.36
HTR1A P08908 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
HSD11B1 P28845 2/20 0.36
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 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
SCHEMBL9963618 0.96 PTGS2 (0.54) PTGS2L3MBTL1ALDH1A1RAB9AFABP4
SCHEMBL9963496 0.91 PTGS2 (0.51) PTGS2L3MBTL1ALDH1A1RAB9AFABP4
SCHEMBL9963510 0.89 PTGS2 (0.54) PTGS2L3MBTL1ALDH1A1RAB9AKDM1A
SCHEMBL9963490 0.81 PTGS2 (0.53) PTGS2L3MBTL1ALDH1A1RAB9AFABP4
SCHEMBL9963509 0.80 PTGS2 (0.52) PTGS2L3MBTL1ALDH1A1RAB9AFABP4
SCHEMBL9963519 0.80 PTGS2 (0.49) PTGS2L3MBTL1ALDH1A1RAB9AFABP4
SCHEMBL9963497 0.80 PTGS2 (0.54) PTGS2L3MBTL1ALDH1A1RAB9AFABP4
SCHEMBL9963617 0.80 PTGS2 (0.47) PTGS2ALDH1A1
SCHEMBL9963556 0.79 PTGS2 (0.48) PTGS2L3MBTL1ALDH1A1RAB9AFABP4
SCHEMBL9963549 0.78 ACHE (0.46) PTGS2L3MBTL1ALDH1A1

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-8203001-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-19 US disclosed
US-8203001-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-19 US disclosed
US-20090258857-A1 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 US disclosed
US-20090258857-A1 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 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-20090258857-A1 CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 PTGS2 2872/4885L3MBTL1 739/4885ALDH1A1 51/4885

“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.