SCHEMBL4896779

SCHEMBL4896779

CCCc1cc(N2CCCN(C)CC2)nc2sc3c(Cl)ncnc3c12

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 11/20 0.50
KDM4E B2RXH2 2/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 1/20 0.44
OPRK1 P41145 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
CHRM4 P08173 5/20 0.42
CHUK O15111 4/20 0.39
EPHA3 P29320 3/20 0.39
PDGFRA P16234 1/20 0.39
NTRK1 P04629 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL4903131 0.89 IKBKB (0.55) IKBKBKDM4EKMT2ACHRM4CHUK
SCHEMBL4903113 0.82 IKBKB (0.52) IKBKBKDM4EKMT2APOLBCHUK
SCHEMBL4903115 0.73 IKBKB (0.60) IKBKBCHUKEPHA3PDGFRANTRK1
SCHEMBL4903314 0.73 IKBKB (0.62) IKBKBCHUKEPHA3PDGFRANTRK1
SCHEMBL4896815 0.73 IKBKB (0.47) IKBKBCHUKEPHA3PDGFRANTRK1
SCHEMBL4657089 0.72 IKBKB (0.92) IKBKBCHUKEPHA3PDGFRANTRK1
SCHEMBL4892342 0.72 IKBKB (0.61) IKBKBCHUKEPHA3PDGFRANTRK1
SCHEMBL4903028 0.70 IKBKB (0.56) IKBKBCHUKEPHA3PDGFRANTRK1
SCHEMBL4903139 0.70 IKBKB (0.43) IKBKBCHUKEPHA3PDGFRANTRK1
SCHEMBL4895369 0.68 IKBKB (0.66) IKBKBCHUKEPHA3PDGFRANTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080008720-A1 Substituted Tricyclic Heterocycles and their Uses CYWIN CHARLES L 2008-01-10 US disclosed
US-20080008720-A1 Substituted Tricyclic Heterocycles and their Uses CYWIN CHARLES L 2008-01-10 US disclosed
US-20080008720-A1 Substituted Tricyclic Heterocycles and their Uses CYWIN CHARLES L 2008-01-10 US disclosed
US-7291733-B2 Substituted tricyclic heterocycles and their uses BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-11-06 US disclosed
US-7291733-B2 Substituted tricyclic heterocycles and their uses BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-11-06 US disclosed
US-7291733-B2 Substituted tricyclic heterocycles and their uses BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-11-06 US disclosed
US-20050101601-A1 Substituted tricyclic heterocycles and their uses BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-05-12 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 (2 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-20050101601-A1 Substituted tricyclic heterocycles and their uses LTC4S, NQO1, CBR3 IKBKB 178/4885KDM4E 3715/4885KMT2A 4239/4885
US-20080008720-A1 Substituted Tricyclic Heterocycles and their Uses LTC4S, NQO1, CBR3 IKBKB 178/4885KDM4E 3715/4885KMT2A 4239/4885

“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.