SCHEMBL1963829

SCHEMBL1963829

O=c1c(-c2cccc(Cl)c2)nc2ccccc2n1CN1CCN(Cc2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CFTR P13569 12/20 0.59
ALDH1A1 P00352 3/20 0.54
USP2 O75604 2/20 0.54
CYP1A2 P05177 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
CYP2D6 P10635 1/20 0.54
MAPT P10636 1/20 0.51
SIGMAR1 Q99720 1/20 0.48
ALDH1A2 O94788 1/20 0.47
ALDH2 P05091 1/20 0.47
ALDH3A1 P30838 1/20 0.47
ALDH1A3 P47895 1/20 0.47
CYP3A4 P08684 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL981613 0.81 CFTR (0.67) CFTRALDH1A1USP2CYP1A2CYP2C9
SCHEMBL19032859 0.75 CFTR (1.00) CFTRALDH1A1USP2CYP1A2CYP2C9
SCHEMBL29497996 0.75 CFTR (1.00) CFTRALDH1A1USP2CYP1A2CYP2C9
SCHEMBL19032821 0.74 CFTR (1.00) CFTRALDH1A1MAPTALDH2ALDH3A1
SCHEMBL31448351 0.72 KDM4E (0.71) CFTRALDH1A1USP2CYP1A2CYP2C9
SCHEMBL29412062 0.72 TP53 (0.78) ALDH1A1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL19032688 0.72 CFTR (1.00) CFTRALDH1A1USP2CYP1A2CYP2C9
SCHEMBL28591439 0.72 CFTR (0.77) CFTRMAPT
SCHEMBL29847465 0.72 CFTR (0.77) CFTRMAPT
SCHEMBL19032793 0.71 CFTR (1.00) CFTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110143939-A1 QUINOXALIN-2-ONE DERIVATIVES, COMPOSITIONS WHICH PROTECT USEFUL PLANTS AND COMPRISE THESE DERIVATIVES, AND PROCESSES FOR THEIR PREPARATION AND THEIR USE BAYER CROPSCIENCE AG (DE) 2011-06-16 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-20110143939-A1 QUINOXALIN-2-ONE DERIVATIVES, COMPOSITIONS WHICH PROTECT USEFUL PLANTS AND COMPRISE THESE DERIVATIVES, AND PROCESSES FOR THEIR PREPARATION AND THEIR USE QSOX1, PRDX2, NQO2 CFTR 1881/4885ALDH1A1 1311/4885USP2 1169/4885

“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.