SCHEMBL8512974

SCHEMBL8512974

Nc1ccc(-c2ccc3c(N)nc(N)nc3c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DHFR P00374 11/20 1.00
MAP4K4 O95819 1/20 0.64
DCPS Q96C86 1/20 0.50
HRH4 Q9H3N8 2/20 0.47
TARS1 P26639 1/20 0.43

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
SCHEMBL9605513 0.87 DHFR (1.00) DHFRMAP4K4DCPSHRH4TARS1
SCHEMBL5507908 0.86 DHFR (0.75) DHFRMAP4K4DCPSHRH4
SCHEMBL13888558 0.84 DHFR (0.93) DHFRMAP4K4DCPSHRH4TARS1
SCHEMBL6094113 0.84 DHFR (0.72) DHFRMAP4K4DCPS
SCHEMBL15587285 0.78 MAP4K4 (1.00) DHFRMAP4K4
SCHEMBL4510941 0.76 DHFR (0.64) DHFRMAP4K4DCPSHRH4
SCHEMBL8512311 0.76 DHFR (1.00) DHFRMAP4K4DCPSHRH4
SCHEMBL4532538 0.75 DHFR (0.62) DHFRMAP4K4DCPSHRH4TARS1
SCHEMBL8509095 0.75 DHFR (1.00) DHFR
SCHEMBL4529864 0.75 DHFR (0.62) DHFRMAP4K4DCPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835445-B2 Dihydrofolate reductase inhibitors TRIUS THERAPEUTICS, INC. (US) 2014-09-16 US disclosed
US-8835445-B2 Dihydrofolate reductase inhibitors TRIUS THERAPEUTICS, INC. (US) 2014-09-16 US disclosed
US-8835445-B2 Dihydrofolate reductase inhibitors TRIUS THERAPEUTICS, INC. (US) 2014-09-16 US disclosed
US-20120136014-A1 DIHYDROFOLATE REDUCTASE INHIBITORS TRIUS THERAPEUTICS, INC. (US) 2012-05-31 US disclosed
US-20120136014-A1 DIHYDROFOLATE REDUCTASE INHIBITORS TRIUS THERAPEUTICS, INC. (US) 2012-05-31 US disclosed
US-20120136014-A1 DIHYDROFOLATE REDUCTASE INHIBITORS TRIUS THERAPEUTICS, INC. (US) 2012-05-31 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-20120136014-A1 DIHYDROFOLATE REDUCTASE INHIBITORS DHFR, DPYD, DHODH DHFR 1/4885MAP4K4 4343/4885DCPS 782/4885

“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.