SCHEMBL4893237

SCHEMBL4893237

Nc1ncnc2c1sc1nc(-c3cccs3)cc(-c3ccc(Cl)cc3Cl)c12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 8/20 0.59
KDM4E B2RXH2 4/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
RXFP1 Q9HBX9 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
USP2 O75604 2/20 0.46
TLR9 Q9NR96 1/20 0.46
LIMK1 P53667 4/20 0.41
CDC7 O00311 4/20 0.41
DBF4 Q9UBU7 3/20 0.41
PLK4 O00444 2/20 0.41
AURKA O14965 2/20 0.41
ROCK2 O75116 2/20 0.41
PIM1 P11309 2/20 0.41
PRKACA P17612 2/20 0.41
RPS6KB1 P23443 2/20 0.41

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
SCHEMBL4902124 0.90 CLK1 (0.49) CLK1KDM4EMEN1KMT2ARXFP1
SCHEMBL4902489 0.88 KDM4E (0.59) CLK1KDM4EMEN1KMT2ARXFP1
SCHEMBL4894356 0.82 HPGD (0.58) CLK1KDM4EMEN1KMT2ARXFP1
SCHEMBL4900837 0.77 KDM4E (0.61) KDM4EMEN1KMT2ARXFP1CYP1A2
SCHEMBL4901399 0.76 KAT8 (0.52) CLK1KDM4EMEN1KMT2ARXFP1
SCHEMBL12969724 0.72 LIMK1 (0.68) CLK1KDM4EMEN1KMT2ARXFP1
SCHEMBL4901029 0.71 HPGD (0.60) KDM4EMEN1KMT2ARXFP1MAPT
SCHEMBL4899938 0.69 LIMK1 (0.66) CLK1KDM4EMEN1KMT2ACYP1A2
SCHEMBL4895355 0.69 MAPT (0.61) KDM4EMEN1KMT2ARXFP1CYP1A2
Bromide SCHEMBL4901715 0.68 MAPT (0.60) KDM4EMEN1KMT2ARXFP1CYP1A2

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 5 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-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 CLK1 3223/4885KDM4E 3715/4885MEN1 3677/4885
US-20080008720-A1 Substituted Tricyclic Heterocycles and their Uses LTC4S, NQO1, CBR3 CLK1 3223/4885KDM4E 3715/4885MEN1 3677/4885

“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.