SCHEMBL21849280

SCHEMBL21849280

Cc1cc(CC(C)C)nc2ccnn12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 11/20 0.51
▸ CDK9 P50750 11/20 0.51
▸ CDK4 P11802 2/20 0.51
▸ CCND1 P24385 2/20 0.51
▸ CCNE1 P24864 1/20 0.51
▸ CDK2 P24941 1/20 0.51
▸ CCNA1 P78396 1/20 0.51
▸ CDK3 Q00526 1/20 0.51
▸ NOS3 P29474 1/20 0.40
▸ NOS1 P29475 1/20 0.40
▸ NOS2 P35228 1/20 0.40
▸ PDE10A Q9Y233 1/20 0.38
▸ CBLB Q13191 1/20 0.37
▸ KCNN3 Q9UGI6 3/20 0.35
▸ PRKAB2 O43741 1/20 0.35
▸ PRKAG1 P54619 1/20 0.35
▸ PRKAA2 P54646 1/20 0.35
▸ PRKAA1 Q13131 1/20 0.35
▸ PRKAG3 Q9UGI9 1/20 0.35
▸ PRKAG2 Q9UGJ0 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
SCHEMBL17690933 0.81 PRKAB2 (0.49) CCNT1CDK9CDK4CCND1CCNE1
SCHEMBL17690983 0.77 PDE10A (0.38) CCNT1CDK9CDK4CCND1CCNE1
SCHEMBL25807858 0.75 CCNT1 (0.54) CCNT1CDK9CDK4CCND1CCNE1
SCHEMBL11605754 0.74 CCNT1 (0.40) CCNT1CDK9CDK4CCND1CCNE1
SCHEMBL3460690 0.73 PIK3CG (0.48) PDE10A
SCHEMBL14545195 0.73 CCNT1 (0.52) CCNT1CDK9CDK4CCND1CCNE1
SCHEMBL24408207 0.71 PRKAB2 (0.46) CCNT1CDK9CDK4CCND1CCNE1
SCHEMBL24418622 0.71 CCNT1 (0.51) CCNT1CDK9CDK4CCND1CCNE1
SCHEMBL29344715 0.70 PDE10A (0.67) CCNT1CDK9PDE10AKCNN3
SCHEMBL20664459 0.70 PDE10A (0.43) CCNT1CDK9CCNE1CDK2PDE10A

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-20200102311-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 — — 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-20200102311-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP CCNT1 3977/4885CDK9 1996/4885CDK4 2404/4885

“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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