SCHEMBL20540355

SCHEMBL20540355

Cn1ncc(C#N)c1NC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
ALDH1A1 P00352 1/20 0.54
TP53 P04637 1/20 0.54
HPGD P15428 1/20 0.49
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
HTT P42858 3/20 0.45
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
PTGS1 P23219 4/20 0.40
PTGS2 P35354 4/20 0.40
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
GFER P55789 1/20 0.38
KDM5A P29375 1/20 0.38
XDH P47989 1/20 0.36
MAP2K1 Q02750 1/20 0.35

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
SCHEMBL15882151 0.83 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1TP53HPGDCYP1A2
SCHEMBL8997219 0.82 PTGS1 (0.58) SMN1; SMN2ALDH1A1TP53HPGDCYP1A2
SCHEMBL8997215 0.81 PTGS1 (0.55) SMN1; SMN2ALDH1A1TP53HPGDCYP1A2
SCHEMBL8997249 0.77 CYP1A2 (0.56) SMN1; SMN2ALDH1A1TP53HPGDCYP1A2
SCHEMBL29174925 0.77 CYP1A2 (0.46) SMN1; SMN2ALDH1A1TP53HPGDCYP1A2
SCHEMBL28058459 0.77 MEN1 (0.40) SMN1; SMN2ALDH1A1TP53HPGDHTT
SCHEMBL20540314 0.75 MEN1 (0.39) SMN1; SMN2ALDH1A1HPGDHTT
SCHEMBL8554538 0.75 PTGS1 (0.54) SMN1; SMN2ALDH1A1TP53LMNATSHR
SCHEMBL20539629 0.74 MEN1 (0.38) SMN1; SMN2ALDH1A1TP53HPGDHTT
SCHEMBL3772649 0.74 MEN1 (0.59) SMN1; SMN2CYP1A2CYP2C19HTTLMNA

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-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-20180305319-A1 Process for the Preparation of Carbamoylamino Pyrazole Derivatives SANDOZ AG (CH) 2018-10-25 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-10351533-B2 Process for the preparation of carbamoylamino pyrazole derivatives PAICS, PPOX, DDC SMN1; SMN2 4257/4885ALDH1A1 2213/4885TP53 770/4885
US-20180305319-A1 Process for the Preparation of Carbamoylamino Pyrazole Derivatives PAICS, PPOX, DDC SMN1; SMN2 4257/4885ALDH1A1 2213/4885TP53 770/4885

“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.