SCHEMBL4902489

SCHEMBL4902489

Nc1ncnc2c1sc1nc(-c3cccs3)cc(-c3ccc(Cl)cc3)c12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.59
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
RXFP1 Q9HBX9 3/20 0.59
USP2 O75604 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
TLR9 Q9NR96 1/20 0.59
HPGD P15428 10/20 0.52
ALDH1A1 P00352 5/20 0.52
MAPT P10636 5/20 0.52
CLK1 P49759 5/20 0.52
EEF2K O00418 1/20 0.48
L3MBTL1 Q9Y468 3/20 0.47
MAPK1 P28482 3/20 0.47
POLB P06746 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL4894356 0.90 HPGD (0.58) KDM4EMEN1KMT2ARXFP1HPGD
SCHEMBL4900837 0.89 KDM4E (0.61) KDM4EMEN1KMT2ARXFP1USP2
SCHEMBL4893237 0.88 CLK1 (0.59) KDM4EMEN1KMT2ARXFP1USP2
SCHEMBL4902124 0.85 CLK1 (0.49) KDM4EMEN1KMT2ARXFP1USP2
SCHEMBL4901029 0.79 HPGD (0.60) KDM4EMEN1KMT2ARXFP1HPGD
SCHEMBL4895355 0.79 MAPT (0.61) KDM4EMEN1KMT2ARXFP1USP2
Bromide SCHEMBL4901715 0.78 MAPT (0.60) KDM4EMEN1KMT2ARXFP1USP2
SCHEMBL4899938 0.77 LIMK1 (0.66) KDM4EMEN1KMT2ACYP1A2CYP2C9
SCHEMBL4901399 0.77 KAT8 (0.52) KDM4EMEN1KMT2ARXFP1USP2
SCHEMBL4900157 0.74 HPGD (0.62) KDM4EKMT2ACYP1A2CYP2C9CYP2C19

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 KDM4E 3715/4885MEN1 3677/4885KMT2A 4239/4885
US-20080008720-A1 Substituted Tricyclic Heterocycles and their Uses LTC4S, NQO1, CBR3 KDM4E 3715/4885MEN1 3677/4885KMT2A 4239/4885

“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.