SCHEMBL16632312

SCHEMBL16632312

N#CCC(=O)c1ccnc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ VNN1 O95497 1/20 0.43
▸ KCNH2 Q12809 1/20 0.42
▸ LOXL2 Q9Y4K0 2/20 0.41
▸ LOX P28300 1/20 0.41
▸ SMARCA2 P51531 1/20 0.40
▸ SMARCA4 P51532 1/20 0.40
▸ DDR1 Q08345 1/20 0.39
▸ IDO1 P14902 1/20 0.36

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
SCHEMBL29227517 0.80 DDR1 (0.46) VNN1KCNH2LOXL2LOXSMARCA2
SCHEMBL16056650 0.80 PTPN1 (0.50) VNN1KCNH2LOXL2LOXSMARCA2
SCHEMBL30016275 0.80 PTPN1 (0.50) VNN1KCNH2LOXL2LOXSMARCA2
SCHEMBL28647663 0.79 JMJD6 (0.43) VNN1KCNH2LOXL2LOXSMARCA2
SCHEMBL25334034 0.77 PLOD2 (0.61) VNN1KCNH2LOXL2LOXSMARCA2
SCHEMBL29227518 0.77 VNN1 (0.44) VNN1KCNH2LOXL2LOXSMARCA2
SCHEMBL3587253 0.77 TRPV4 (0.41) VNN1KCNH2
SCHEMBL28019417 0.77 VNN1 (0.58) VNN1LOXL2LOXSMARCA2SMARCA4
SCHEMBL2686060 0.76 KCNH2 (0.38) KCNH2SMARCA2SMARCA4
SCHEMBL4656010 0.76 PREP (0.42) KCNH2LOXL2LOXSMARCA2SMARCA4

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
EP-2861597-B1 SUBSTITUTED PYRAZOLOQUINAZOLINONES AND PYRROLOQUINAZOLINONES AS ALLOSTERIC MODULATORS OF GROUP II METABOTROPIC GLUTAMATE RECEPTORS DOMAIN THERAPEUTICS (FR) 2017-09-06 — — EP disclosed
US-9434734-B2 Substituted pyrazoloquinazolinones and pyrroloquinazolinones as allosteric modulators of group II metabotropic glutamate receptors DOMAIN THERAPEUTICS (FR) 2016-09-06 — — US disclosed
US-20150105381-A1 SUBSTITUTED PYRAZOLOQUINAZOLINONES AND PYRROLOQUINAZOLINONES AS ALLOSTERIC MODULATORS OF GROUP II METABOTROPIC GLUTAMATE RECEPTORS DOMAIN THERAPEUTICS (FR) 2015-04-16 — — 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-20150105381-A1 SUBSTITUTED PYRAZOLOQUINAZOLINONES AND PYRROLOQUINAZOLINONES AS ALLOSTERIC MODULATORS OF GROUP II METABOTROPIC GLUTAMATE RECEPTORS GRM1, GRIN1, GRM2 VNN1 4558/4885KCNH2 1156/4885LOXL2 4021/4885

“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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