SCHEMBL17490722

SCHEMBL17490722

Cc1cc(C(N)=O)cc(CF)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.42
▸ POLB P06746 1/20 0.40
▸ BRD4 O60885 2/20 0.38
▸ CYP1A2 P05177 2/20 0.36
▸ PARP1 P09874 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ LMNA P02545 3/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ IKBKB O14920 2/20 0.33
▸ CHUK O15111 1/20 0.33
▸ PRKACA P17612 1/20 0.33
▸ PRKACG P22612 1/20 0.33
▸ PRKACB P22694 1/20 0.33
▸ LIMK1 P53667 1/20 0.33
▸ BTK Q06187 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33

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
SCHEMBL1425072 0.84 HTT (0.43) HTTPOLBBRD4CYP1A2PARP1
SCHEMBL1425022 0.84 HTT (0.43) HTTPOLBBRD4CYP1A2PARP1
SCHEMBL1179736 0.80 POLB (0.50) HTTPOLBCYP1A2PARP1TSHR
SCHEMBL19641722 0.73 LMNA (0.47) HTTPOLBBRD4CYP1A2PARP1
SCHEMBL583717 0.72 POLB (0.52) HTTPOLBCYP1A2PARP1KMT2A
SCHEMBL3118332 0.72 POLB (0.43) HTTPOLBCYP1A2PARP1TSHR
SCHEMBL17490816 0.70 NOS2 (0.44) —
SCHEMBL17382046 0.69 ALDH1A1 (0.52) HTTPOLBCYP1A2PARP1TSHR
SCHEMBL15980622 0.69 POLB (0.41) HTTPOLBBRD4CYP1A2PARP1
SCHEMBL29177315 0.69 CDK8 (0.49) HTTPOLBPARP1LMNAKDM4E

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-10005785-B2 Substituted 6,7-dihydropyrazolo[1,5-a] pyrazines as negative allosteric modulators of mGlUR2 receptors JANSSEN PHARMACEUTICA NV (BE) 2018-06-26 — — US disclosed
US-10005785-B2 Substituted 6,7-dihydropyrazolo[1,5-a] pyrazines as negative allosteric modulators of mGlUR2 receptors JANSSEN PHARMACEUTICA NV (BE) 2018-06-26 — — US disclosed
US-20170217971-A1 6,7-DIHYDROPYRAZOLO[1,5-a]PYRAZIN-4(5H)-ONE COMPOUNDS AND THEIR USE AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2017-08-03 — — US disclosed
US-20170217971-A1 6,7-DIHYDROPYRAZOLO[1,5-a]PYRAZIN-4(5H)-ONE COMPOUNDS AND THEIR USE AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2017-08-03 — — US disclosed
WO-2016016395-A1 6,7-DIHYDROPYRAZOLO[1,5-A]PYRAZIN-4(5H)-ONE COMPOUNDS AND THEIR USE AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2016-02-04 — — 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-20170217971-A1 6,7-DIHYDROPYRAZOLO[1,5-a]PYRAZIN-4(5H)-ONE COMPOUNDS AND THEIR USE AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS GRM2, GRM5, GRM1 HTT 1225/4885POLB 4487/4885BRD4 480/4885
US-10005785-B2 Substituted 6,7-dihydropyrazolo[1,5-a] pyrazines as negative allosteric modulators of mGlUR2 receptors GRM2, GRM5, GRM1 HTT 1590/4885POLB 4338/4885BRD4 859/4885

“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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