SCHEMBL6326170

SCHEMBL6326170

Cn1ncc(C#N)c1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
RET P07949 8/20 0.35
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GPR119 Q8TDV5 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
RAB9A P51151 1/20 0.33
F2 P00734 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL6326173 0.85 POLB (0.35) POLBMAPTHTTSMN1; SMN2CYP1A2
SCHEMBL23982521 0.83 RET (0.33) RETGPR119
SCHEMBL20540301 0.79 MAPT (0.45) POLBMAPTHTTSMN1; SMN2CYP1A2
SCHEMBL26113587 0.79 TRPA1 (0.32) RET
SCHEMBL26113583 0.79 TRPA1 (0.32) RET
SCHEMBL31344227 0.78 HTT (0.35) POLBMAPTHTTSMN1; SMN2CYP1A2
SCHEMBL30640456 0.75 KDM4E (0.42) POLBHTTSMN1; SMN2RETALDH1A1
SCHEMBL26113923 0.74 TRPA1 (0.30)
SCHEMBL26113927 0.74 TRPA1 (0.30)
SCHEMBL4735920 0.72 CYP3A4 (0.41) MAPTSMN1; SMN2CYP1A2CYP2C19KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10351533-B2 Process for the preparation of carbamoylamino pyrazole derivatives SANDOZ AG (CH) 2019-07-16 US disclosed
EP-3313821-B1 PROCESS FOR THE PREPARATION OF CARBAMOYLAMINO PYRAZOLE DERIVATIVES SANDOZ AG (CH) 2019-04-10 EP disclosed
US-6924284-B2 PARP inhibitors ICOS CORPORATION (US) 2005-08-02 US disclosed
US-20040087588-A1 Parp inhibitors ICOS CORPORATION 2004-05-06 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-20040087588-A1 Parp inhibitors PARP1, PARP2, PARP11 POLB 54/4885MAPT 729/4885HTT 1266/4885
US-10351533-B2 Process for the preparation of carbamoylamino pyrazole derivatives PAICS, PPOX, DDC POLB 577/4885MAPT 3863/4885HTT 3821/4885

“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.