SCHEMBL4903113

SCHEMBL4903113

CCCc1cc(N2CCCN(C)CC2)nc2sc3c(=O)[nH]cnc3c12

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 12/20 0.52
CHUK O15111 4/20 0.42
EPHA3 P29320 3/20 0.42
PDGFRA P16234 1/20 0.42
HPGD P15428 3/20 0.42
POLB P06746 1/20 0.42
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NTRK1 P04629 1/20 0.42
HKDC1 Q2TB90 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HIF1A Q16665 1/20 0.39

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 0.82 IKBKB (0.55) IKBKBCHUKEPHA3PDGFRAKDM4E
SCHEMBL4896779 0.82 IKBKB (0.50) IKBKBCHUKEPHA3PDGFRAPOLB
SCHEMBL4657089 0.73 IKBKB (0.92) IKBKBCHUKEPHA3PDGFRANTRK1
SCHEMBL4903314 0.72 IKBKB (0.62) IKBKBCHUKEPHA3PDGFRANTRK1
SCHEMBL4896815 0.70 IKBKB (0.47) IKBKBCHUKEPHA3PDGFRANTRK1
SCHEMBL24256851 0.68 HPGD (0.74) HPGDPOLBKDM4EALDH1A1KMT2A
SCHEMBL4657138 0.68 IKBKB (1.00) IKBKBCHUKEPHA3PDGFRANTRK1
SCHEMBL4892342 0.67 IKBKB (0.61) IKBKBCHUKEPHA3PDGFRANTRK1
SCHEMBL4902714 0.66 IKBKB (0.47) IKBKBCHUKEPHA3PDGFRANTRK1
SCHEMBL4903115 0.66 IKBKB (0.60) 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 9 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
EP-1673374-A2 SUBSTITUTED TRICYCLIC HETEROCYCLES AND THEIR USES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-06-28 EP disclosed
US-20050101601-A1 Substituted tricyclic heterocycles and their uses BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-05-12 US disclosed
WO-2005035537-A2 SUBSTITUTED TRICYCLIC HETEROCYCLES AND THEIR USES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-04-21 WO 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 178/4885CHUK 127/4885EPHA3 4565/4885
US-20080008720-A1 Substituted Tricyclic Heterocycles and their Uses LTC4S, NQO1, CBR3 IKBKB 178/4885CHUK 127/4885EPHA3 4565/4885

“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.