SCHEMBL29935862

SCHEMBL29935862

O=Cc1ccc2cnccc2c1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 14/20 0.53
CCNT1 O60563 1/20 0.45
CDK9 P50750 1/20 0.45
HASPIN Q8TF76 1/20 0.45
CYP2A6 P11509 2/20 0.44
ERN1 O75460 1/20 0.43
CYP19A1 P11511 1/20 0.42

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
SCHEMBL1519743 1.00 CYP3A4 (0.53) CYP3A4CCNT1CDK9HASPINCYP2A6
SCHEMBL27721788 0.98 CYP3A4 (0.51) CYP3A4CCNT1CDK9HASPINCYP2A6
SCHEMBL2006719 0.92 PRKCZ (0.46) CYP3A4CCNT1CDK9HASPINCYP2A6
SCHEMBL1519758 0.80 CYP3A4 (0.49) CYP3A4CYP19A1
SCHEMBL977774 0.80 CYP2A6 (0.54) CYP2A6
SCHEMBL20364369 0.77 CYP3A4 (0.54) CYP3A4CYP19A1
SCHEMBL2011301 0.77 CYP2A6 (0.44) CYP2A6
SCHEMBL1519593 0.76 KDM4E (0.59) CYP3A4CCNT1CDK9HASPIN
SCHEMBL1519589 0.76 KDM4E (0.59) CYP3A4CCNT1CDK9HASPIN
SCHEMBL19643711 0.75 CYP3A4 (0.72) CYP3A4

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113164459-B Monoacylglycerol lipase modulators 詹森药业有限公司 2024-09-03 CN claimed
US-12577243-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2026-03-17 US disclosed
EP-4565574-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2025-06-11 EP disclosed
CN-113164459-B Monoacylglycerol lipase modulators 詹森药业有限公司 2024-09-03 CN disclosed
WO-2024031089-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2024-02-08 WO disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-20220332713-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2022-10-20 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 (4 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-20220332713-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP CYP3A4 1414/4885CCNT1 3710/4885CDK9 2494/4885
US-12577243-B2 Monoacylglycerol lipase modulators MGLL, LPL, FAAH CYP3A4 697/4885CCNT1 4702/4885CDK9 3876/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP CYP3A4 1414/4885CCNT1 3710/4885CDK9 2494/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP CYP3A4 1414/4885CCNT1 3710/4885CDK9 2494/4885

“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.