SCHEMBL16588925

SCHEMBL16588925

Cc1cc(-c2cnc(N(C)C)nc2N2CCC(c3nc[nH]c3C)CC2)ccc1F

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SLC9A1 P19634 20/20 0.76
▸ SLC9A2 Q9UBY0 1/20 0.76

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
SCHEMBL14276754 0.91 SLC9A1 (0.77) SLC9A1SLC9A2
SCHEMBL14276839 0.86 SLC9A1 (1.00) SLC9A1SLC9A2
SCHEMBL30772134 0.86 SLC9A1 (1.00) SLC9A1SLC9A2
SCHEMBL14276853 0.84 SLC9A1 (1.00) SLC9A1SLC9A2
SCHEMBL14276871 0.83 SLC9A1 (0.72) SLC9A1SLC9A2
SCHEMBL14276741 0.83 SLC9A1 (1.00) SLC9A1SLC9A2
SCHEMBL14276743 0.80 SLC9A1 (0.74) SLC9A1SLC9A2
SCHEMBL14276893 0.80 SLC9A1 (0.82) SLC9A1SLC9A2
SCHEMBL14276752 0.78 SLC9A1 (1.00) SLC9A1SLC9A2
SCHEMBL14276906 0.77 SLC9A1 (0.73) SLC9A1SLC9A2

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-20170334880-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF BACTERIAL DISEASES JANSSEN R&D IRELAND (IE) 2017-11-23 — — US disclosed
US-9725432-B2 Pyrimidine derivatives for the treatment of bacterial diseases JANSSEN SCIENCES IRELAND US (IE) 2017-08-08 — — US disclosed
US-20150087651-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF BACTERIAL DISEASES JANSSEN SCIENCES IRELAND UC (IE) 2015-03-26 — — 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-20150087651-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF BACTERIAL DISEASES TYMS, UMPS, TYMP SLC9A1 667/4885SLC9A2 1075/4885
US-20170334880-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF BACTERIAL DISEASES TYMS, UMPS, TYMP SLC9A1 667/4885SLC9A2 1075/4885

“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.

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