SCHEMBL3063007

SCHEMBL3063007

Cc1cc2nccc(N3CCC(NC(=O)c4cscn4)CC3)n2n1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.45
UTS2R Q9UKP6 1/20 0.40
CFTR P13569 2/20 0.39
PRKDC P78527 1/20 0.38
HTT P42858 1/20 0.37
CHRM4 P08173 1/20 0.36
PARP1 P09874 1/20 0.36
SMYD3 Q9H7B4 1/20 0.36
SMPD3 Q9NY59 3/20 0.35
PIM1 P11309 1/20 0.35
USP30 Q70CQ3 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL3065900 0.71 USP30 (0.49) MCHR1UTS2RCHRM4USP30
SCHEMBL3063005 0.71 SPR (0.39) HTTSMPD3PIM1MEN1KMT2A
SCHEMBL4970792 0.71 MCHR1 (0.55) MCHR1UTS2RSMYD3PIM1KDM4E
SCHEMBL3060481 0.68 MCHR1 (0.48) MCHR1UTS2RALDH1A1HPGDHSD17B10
SCHEMBL4955202 0.68 DRD4 (0.39) HTTSMPD3MEN1KMT2AALDH1A1
SCHEMBL27124836 0.68 MCHR1 (0.50) MCHR1UTS2RPRKDCKDM4ENPC1
SCHEMBL3068444 0.67 ADRB2 (0.48) MCHR1UTS2RPRKDCSMYD3
SCHEMBL2554945 0.67 RAB9A (0.52) MCHR1MEN1KMT2AALDH1A1HPGD
SCHEMBL28264042 0.67 RAB9A (0.52) MCHR1MEN1KMT2AALDH1A1HPGD
SCHEMBL3061487 0.67 MCHR1 (0.44) MCHR1UTS2RPRKDCALDH1A1HPGD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267717-A1 Novel Heterocyclic NF-kB Inhibitors 4SC AG (DE) 2010-10-21 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-20100267717-A1 Novel Heterocyclic NF-kB Inhibitors NFKB2, NFKBIA, NFRKB MCHR1 3580/4885UTS2R 836/4885CFTR 691/4885

“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.