SCHEMBL19553576

SCHEMBL19553576

CSc1ncc(C=O)c(N(C)CCN)n1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PRKCH P24723 1/20 0.32
▸ PRKCE Q02156 1/20 0.32
▸ PRKCQ Q04759 1/20 0.32
▸ PRKCD Q05655 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL16120608 0.84 MEN1 (0.33) MEN1KMT2A
SCHEMBL17718026 0.81 ALDH1A1 (0.40) MEN1KMT2A
SCHEMBL21770873 0.74 KCNN4 (0.34) —
SCHEMBL1168107 0.71 MEN1 (0.38) MEN1KMT2A
SCHEMBL10811677 0.70 AHR (0.43) MEN1KMT2A
SCHEMBL4503059 0.69 CRHR1 (0.38) MEN1KMT2A
SCHEMBL16120477 0.69 TP53 (0.35) MEN1KMT2A
SCHEMBL4770466 0.67 MEN1 (0.38) MEN1KMT2A
SCHEMBL1353824 0.67 MEN1 (0.45) MEN1KMT2A
SCHEMBL8373630 0.67 ALDH1A1 (0.38) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10590140-B2 Tetrahydropyrimidodiazepine and dihydropyridodiazepine compounds for treating pain and pain related conditions ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-03-17 — — US disclosed
EP-3452475-B1 TETRAHYDROPYRIMIDODIAZEPINE AND TETRAHYDROPYRIDODIAZEPINE COMPOUNDS FOR TREATING PAIN AND PAIN RELATED CONDITIONS ESTEVE PHARMACEUTICALS SA (ES) 2020-02-26 — — EP disclosed
US-20190144455-A1 TETRAHYDROPYRIMIDODIAZEPINE AND DIHYDROPYRIDODIAZEPINE COMPOUNDS FOR TREATING PAIN AND PAIN RELATED CONDITIONS ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-05-16 — — US disclosed
EP-3452475-A1 TETRAHYDROPYRIMIDODIAZEPINE AND TETRAHYDROPYRIDODIAZEPINE COMPOUNDS FOR TREATING PAIN AND PAIN RELATED CONDITIONS ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-03-13 — — EP disclosed
WO-2017191304-A1 TETRAHYDROPYRIMIDODIAZEPINE AND TETRAHYDROPYRIDODIAZEPINE COMPOUNDS FOR TREATING PAIN AND PAIN RELATED CONDITIONS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2017-11-09 — — WO 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-20190144455-A1 TETRAHYDROPYRIMIDODIAZEPINE AND DIHYDROPYRIDODIAZEPINE COMPOUNDS FOR TREATING PAIN AND PAIN RELATED CONDITIONS CACNA1G, CACNA1B, CACNA1D PRKCH 1174/4885PRKCE 886/4885PRKCQ 522/4885
US-10590140-B2 Tetrahydropyrimidodiazepine and dihydropyridodiazepine compounds for treating pain and pain related conditions CACNA1G, CACNA1B, CACNA1D PRKCH 1174/4885PRKCE 886/4885PRKCQ 522/4885

“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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