SCHEMBL30935805

SCHEMBL30935805

N#Cc1cccnc1-c1cnn(CC2(C(F)(F)F)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.41
▸ METAP2 P50579 2/20 0.38
▸ CCNT1 O60563 1/20 0.38
▸ CDK1 P06493 1/20 0.38
▸ CDK4 P11802 1/20 0.38
▸ CCNB1 P14635 1/20 0.38
▸ CCND1 P24385 1/20 0.38
▸ CCNE1 P24864 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ CCND3 P30281 1/20 0.38
▸ CDK7 P50613 1/20 0.38
▸ CDK9 P50750 1/20 0.38
▸ CCNH P51946 1/20 0.38
▸ MNAT1 P51948 1/20 0.38
▸ CDK6 Q00534 1/20 0.38
▸ PDK2 Q15119 3/20 0.35
▸ CREBBP Q92793 1/20 0.34
▸ SLC2A2 P11168 1/20 0.34
▸ JAK2 O60674 3/20 0.34
▸ JAK1 P23458 3/20 0.34

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
SCHEMBL23779357 0.77 CHRM4 (0.38) CNR2JAK2JAK1TYK2JAK3
SCHEMBL30935840 0.77 CHRM4 (0.38) CNR2JAK2JAK1TYK2JAK3
SCHEMBL30935804 0.75 CHRM4 (0.40) PDK2JAK2JAK1TYK2JAK3
SCHEMBL23779307 0.75 CHRM4 (0.40) PDK2JAK2JAK1TYK2JAK3
SCHEMBL30332259 0.74 JAK2 (0.45) CNR2PDK2CREBBPJAK2JAK1
SCHEMBL30332524 0.74 CCNT1 (0.47) CNR2CCNT1CDK1CDK4CCNB1
SCHEMBL3289673 0.73 L3MBTL1 (0.56) CNR2CREBBP
SCHEMBL30935852 0.73 CHRM4 (0.36) PDK2JAK2JAK1TYK2JAK3
SCHEMBL23779392 0.73 CHRM4 (0.36) PDK2JAK2JAK1TYK2JAK3
SCHEMBL20602372 0.71 PDK2 (0.34) PDK2CLK2LRRK2

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-11970479-B2 3-(1H-pyrazol-4-yl)pyridine allosteric modulators of the M4 muscarinic acetylcholine receptor MERCK SHARP & DOHME LLC (US) 2024-04-30 — — US claimed

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-11970479-B2 3-(1H-pyrazol-4-yl)pyridine allosteric modulators of the M4 muscarinic acetylcholine receptor CHRM4, CHRM3, CHRM1 CNR2 29/4885METAP2 1445/4885CCNT1 3481/4885

“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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