SCHEMBL2069292

SCHEMBL2069292

NC1=NC(F)(c2cccs2)NC=C1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.32
MEN1 O00255 1/20 0.31
PRCP P42785 1/20 0.31
KMT2A Q03164 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
SLC6A3 Q01959 1/20 0.30
BACE1 P56817 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
SCHEMBL2069431 0.77 SLC6A3 (0.33) SLC6A2MEN1PRCPKMT2ASIGMAR1
SCHEMBL8152469 0.58 SLC6A2 (0.34) SLC6A2MEN1PRCPKMT2ASIGMAR1
SCHEMBL2461433 0.57 SLC6A2 (0.30) SLC6A2
SCHEMBL1172351 0.56 BACE1 (0.38) KMT2ABACE1
SCHEMBL14777212 0.55 KMT2A (0.36) SLC6A2MEN1PRCPKMT2ASIGMAR1
SCHEMBL6744114 0.55 OPRM1 (0.36) SLC6A2MEN1PRCPKMT2ASIGMAR1
SCHEMBL6204888 0.55
SCHEMBL2842524 0.55
SCHEMBL9848852 0.55
SCHEMBL2792924 0.55

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-9422271-B2 Pyrimidine compounds as tuberculosis inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-08-23 US disclosed
US-20140249137-A1 PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-04 US disclosed
US-20110053916-A1 PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-03 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-20140249137-A1 PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS TYMS, TYMP, DPYD SLC6A2 2830/4885MEN1 2543/4885PRCP 1568/4885
US-20110053916-A1 PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS TYMS, TYMP, DPYD SLC6A2 2830/4885MEN1 2543/4885PRCP 1568/4885

“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.