SCHEMBL4899459

SCHEMBL4899459

CCCc1cc(N2CCC(O)CC2)nc2sc(C#N)c(N)c12

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 20/20 0.69
CHUK O15111 4/20 0.69
EPHA3 P29320 3/20 0.69
NTRK1 P04629 1/20 0.69
PDGFRA P16234 1/20 0.52

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
SCHEMBL14281201 0.89 IKBKB (0.68) IKBKBCHUKEPHA3NTRK1PDGFRA
SCHEMBL4903314 0.83 IKBKB (0.62) IKBKBCHUKEPHA3NTRK1PDGFRA
SCHEMBL4895872 0.82 IKBKB (0.57) IKBKBCHUKEPHA3NTRK1PDGFRA
SCHEMBL4656913 0.82 IKBKB (1.00) IKBKBCHUKEPHA3NTRK1PDGFRA
SCHEMBL4902514 0.81 IKBKB (0.48) IKBKBCHUKEPHA3NTRK1PDGFRA
SCHEMBL4656962 0.79 IKBKB (0.93) IKBKBCHUKEPHA3NTRK1PDGFRA
SCHEMBL4903242 0.77 IKBKB (0.62) IKBKBCHUKEPHA3NTRK1PDGFRA
SCHEMBL4892342 0.76 IKBKB (0.61) IKBKBCHUKEPHA3NTRK1PDGFRA
SCHEMBL4895363 0.76 IKBKB (0.61) IKBKBCHUKEPHA3NTRK1PDGFRA
SCHEMBL14111042 0.73 IKBKB (0.85) IKBKBCHUKEPHA3NTRK1PDGFRA

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.