SCHEMBL4903285

SCHEMBL4903285

CCCc1cc(N2CCC(NC(=O)OCc3ccccc3)CC2)nc2sc3c(N)ncnc3c12

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 18/20 0.48
CHUK O15111 3/20 0.44
EPHA3 P29320 3/20 0.44
NTRK1 P04629 1/20 0.44
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
PDGFRA P16234 1/20 0.39
CDC7 O00311 1/20 0.39
DBF4 Q9UBU7 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
SCHEMBL4899091 0.80 IKBKB (0.46) IKBKBCHUKEPHA3NTRK1PDGFRA
SCHEMBL4901662 0.80 IKBKB (0.52) IKBKBCHUKEPHA3NTRK1PDGFRA
SCHEMBL4892342 0.79 IKBKB (0.61) IKBKBCHUKEPHA3NTRK1PDGFRA
SCHEMBL12969800 0.79 IKBKB (0.45) IKBKBCHUKEPHA3NTRK1PDGFRA
SCHEMBL4903115 0.78 IKBKB (0.60) IKBKBCHUKEPHA3NTRK1PDGFRA
SCHEMBL4902536 0.76 IKBKB (0.43) IKBKBCHUKEPHA3NTRK1PDGFRA
SCHEMBL4894378 0.69 IKBKB (0.47) IKBKBCHUKEPHA3NTRK1PDGFRA
SCHEMBL6279595 0.69 IKBKB (0.65) IKBKBCHUKEPHA3NTRK1PDGFRA
SCHEMBL4905618 0.68 IKBKB (0.47) IKBKBCHUKEPHA3NTRK1CDC7
SCHEMBL6427692 0.68 IKBKB (0.71) 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 10 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 claimed
US-20050101601-A1 Substituted tricyclic heterocycles and their uses BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-05-12 US claimed
WO-2012131297-A1 PYRIDO [3',2' :4,5] THIENO [3, 2-D] PYRIMIDIN- 4 - YLAMINE DERIVATIVES AND THEIR THERAPEUTICAL USE BAELL JONATHAN BAYLDON (AU) 2012-10-04 WO 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-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 178/4885CHUK 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.