SCHEMBL4902124

SCHEMBL4902124

Nc1ncnc2c1sc1nc(-c3cccs3)cc(-c3ccccc3Cl)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 4/20 0.49
HPGD P15428 6/20 0.43
LIMK1 P53667 5/20 0.43
KDM4E B2RXH2 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
RXFP1 Q9HBX9 2/20 0.42
USP2 O75604 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TLR9 Q9NR96 1/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CDC7 O00311 6/20 0.42
DBF4 Q9UBU7 5/20 0.42
PLK4 O00444 2/20 0.42
AURKA O14965 2/20 0.42

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
SCHEMBL4893237 0.90 CLK1 (0.59) CLK1HPGDLIMK1KDM4EMEN1
SCHEMBL4894356 0.86 HPGD (0.58) CLK1HPGDLIMK1KDM4EMEN1
SCHEMBL4902489 0.85 KDM4E (0.59) CLK1HPGDLIMK1KDM4EMEN1
SCHEMBL4901399 0.77 KAT8 (0.52) CLK1HPGDLIMK1KDM4EMEN1
SCHEMBL4901029 0.75 HPGD (0.60) HPGDKDM4EMEN1KMT2ARXFP1
SCHEMBL4900837 0.74 KDM4E (0.61) HPGDKDM4EMEN1KMT2ARXFP1
SCHEMBL12969724 0.74 LIMK1 (0.68) CLK1HPGDLIMK1KDM4EMEN1
SCHEMBL4899938 0.73 LIMK1 (0.66) CLK1HPGDLIMK1KDM4EMEN1
SCHEMBL4895355 0.70 MAPT (0.61) HPGDKDM4EMEN1KMT2ARXFP1
Bromide SCHEMBL4901715 0.69 MAPT (0.60) HPGDKDM4EMEN1KMT2ARXFP1

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 3 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
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 CLK1 3223/4885HPGD 53/4885LIMK1 4013/4885
US-20080008720-A1 Substituted Tricyclic Heterocycles and their Uses LTC4S, NQO1, CBR3 CLK1 3223/4885HPGD 53/4885LIMK1 4013/4885

“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.