SCHEMBL16178773

SCHEMBL16178773

COc1cc(C)c(NC(=O)N2CCNC(C)C2)cn1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PI4KB Q9UBF8 2/20 0.48
▸ NTRK1 P04629 9/20 0.41
▸ REN P00797 1/20 0.40
▸ NNMT P40261 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SCN9A Q15858 4/20 0.37
▸ SCN10A Q9Y5Y9 1/20 0.37

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
SCHEMBL16178795 0.85 NTRK1 (0.39) PI4KBNTRK1SCN9ASCN10A
SCHEMBL16178725 0.81 HDAC1 (0.42) NTRK1
SCHEMBL16178743 0.81 REN (0.38) NTRK1RENSCN9ASCN10A
SCHEMBL16178714 0.80 NTRK1 (0.39) PI4KBNTRK1SCN9ASCN10A
SCHEMBL16177994 0.80 PI4KB (0.50) PI4KBNPC1RAB9A
SCHEMBL16178736 0.79 PI4KB (0.51) PI4KBNTRK1NNMTSCN9ASCN10A
SCHEMBL16178749 0.76 MAPK1 (0.43) PI4KBNTRK1SCN9ASCN10A
SCHEMBL16178789 0.76 NTRK1 (0.41) PI4KBNTRK1SCN9ASCN10A
SCHEMBL16178755 0.75 NTRK1 (0.40) NTRK1
SCHEMBL16178784 0.74 HRH4 (0.38) NTRK1SCN9ASCN10A

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-9096614-B2 Therapeutically active thiazolo-pyrimidine derivatives UCB PHARMA SA (BE) 2015-08-04 — — US disclosed
US-20140315885-A1 Therapeutically Active Thiazolo-Pyrimidine Derivatives UCB PHARMA SA (BE) 2014-10-23 — — 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-20140315885-A1 Therapeutically Active Thiazolo-Pyrimidine Derivatives TPMT, IFNG, IRF3 PI4KB 800/4885NTRK1 3223/4885REN 209/4885

“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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