SCHEMBL16998613

SCHEMBL16998613

Cc1cncc(Cl)c1CSc1nc(O)cc(C(C)(F)F)n1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 2/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
ATM Q13315 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL16743435 0.93 MEN1 (0.35) MEN1KMT2APOLBLMNAHPGD
SCHEMBL843885 0.92 POLB (0.38) MEN1KMT2APOLBLMNAHPGD
SCHEMBL13058913 0.89 MEN1 (0.33) MEN1KMT2A
SCHEMBL16743439 0.86 MEN1 (0.32) MEN1KMT2APOLBLMNAHPGD
SCHEMBL16743445 0.85 MAPT (0.37) MEN1KMT2APOLBLMNAHPGD
SCHEMBL844828 0.83 MEN1 (0.45) MEN1KMT2ALMNAHPGDRAB9A
SCHEMBL844555 0.83 NPSR1 (0.39) MEN1KMT2APOLBLMNAHPGD
SCHEMBL16998641 0.81 MEN1 (0.33) MEN1KMT2APOLBLMNAHPGD
SCHEMBL16743432 0.80 ALDH1A1 (0.32) POLBALDH1A1HSD17B10L3MBTL1
SCHEMBL844534 0.80 MEN1 (0.36) MEN1KMT2APOLBLMNAHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9315521-B2 Pyrimidines as novel therapeutic agents UNIVERSITé LAVAL (CA) 2016-04-19 US disclosed
US-20150225423-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITé LAVAL (CA) 2015-08-13 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 (1 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-20150225423-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS TYMS, P2RX2, TYMP MEN1 4378/4885KMT2A 3590/4885POLB 334/4885

“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.