SCHEMBL4903115

SCHEMBL4903115

CCCc1cc(N2CCC(N)CC2)nc2sc3c(N)ncnc3c12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 19/20 0.60
CHUK O15111 4/20 0.60
EPHA3 P29320 3/20 0.60
NTRK1 P04629 1/20 0.50
PDGFRA P16234 1/20 0.44
CDC7 O00311 1/20 0.43
PLK4 O00444 1/20 0.43
AURKA O14965 1/20 0.43
ROCK2 O75116 1/20 0.43
FYN P06241 1/20 0.43
PIM1 P11309 1/20 0.43
PRKACA P17612 1/20 0.43
RPS6KB1 P23443 1/20 0.43
CDK2 P24941 1/20 0.43
MARK3 P27448 1/20 0.43
AKT1 P31749 1/20 0.43
FLT4 P35916 1/20 0.43
KDR P35968 1/20 0.43
CSNK1D P48730 1/20 0.43
GSK3A P49840 1/20 0.43

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
SCHEMBL4892342 0.91 IKBKB (0.61) IKBKBCHUKEPHA3NTRK1PDGFRA
SCHEMBL4901662 0.86 IKBKB (0.52) IKBKBCHUKEPHA3NTRK1PDGFRA
SCHEMBL4895369 0.86 IKBKB (0.66) IKBKBCHUKEPHA3NTRK1PDGFRA
SCHEMBL4896815 0.86 IKBKB (0.47) IKBKBCHUKEPHA3NTRK1PDGFRA
SCHEMBL4903139 0.85 IKBKB (0.43) IKBKBCHUKEPHA3NTRK1PDGFRA
SCHEMBL4903131 0.84 IKBKB (0.55) IKBKBCHUKEPHA3NTRK1PDGFRA
SCHEMBL4902196 0.83 IKBKB (0.47) IKBKBCHUKEPHA3NTRK1CDC7
SCHEMBL4899091 0.80 IKBKB (0.46) IKBKBCHUKEPHA3NTRK1PDGFRA
SCHEMBL4903242 0.80 IKBKB (0.62) IKBKBCHUKEPHA3NTRK1PDGFRA
SCHEMBL4901082 0.80 CDC7 (0.64) IKBKBCHUKEPHA3CDC7PLK4

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.