SCHEMBL25542166

SCHEMBL25542166

CCC(C)(C)c1ncnc2[nH]ncc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.50
▸ PDPK1 O15530 2/20 0.49
▸ RET P07949 1/20 0.49
▸ PI4KA P42356 1/20 0.49
▸ XDH P47989 1/20 0.49
▸ LRRK2 Q5S007 1/20 0.49
▸ PI4K2B Q8TCG2 1/20 0.49
▸ PI4K2A Q9BTU6 1/20 0.49
▸ PI4KB Q9UBF8 1/20 0.49
▸ CHEK1 O14757 1/20 0.47
▸ AURKA O14965 1/20 0.47
▸ CYP1A2 P05177 3/20 0.44
▸ CCNT1 O60563 1/20 0.41
▸ CCNA2 P20248 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ CDK9 P50750 1/20 0.41
▸ CCNA1 P78396 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAPK1 P28482 1/20 0.40

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
SCHEMBL4572242 0.82 RET (0.55) ALDH1A1PDPK1RETPI4KAXDH
SCHEMBL24656775 0.76 ALDH1A1 (0.47) ALDH1A1PDPK1RETPI4KAXDH
SCHEMBL21275551 0.72 RET (0.52) ALDH1A1PDPK1RETPI4KAXDH
SCHEMBL10226489 0.72 ALDH1A1 (0.56) ALDH1A1PDPK1RETPI4KAXDH
SCHEMBL14827602 0.69 PDPK1 (0.66) ALDH1A1PDPK1RETPI4KAXDH
SCHEMBL12352811 0.69 ALDH1A1 (0.53) ALDH1A1PDPK1RETPI4KAXDH
Allopurinol SCHEMBL9245969 0.69 CYP1A2 (0.54) ALDH1A1PDPK1RETPI4KAXDH
SCHEMBL2619226 0.69 RET (0.61) ALDH1A1PDPK1RETPI4KAXDH
SCHEMBL18879374 0.68 HTT (0.31) —
SCHEMBL26856850 0.68 PDPK1 (0.50) ALDH1A1PDPK1RETPI4KAXDH

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-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 — — 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-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP ALDH1A1 312/4885PDPK1 620/4885RET 2343/4885

“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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