SCHEMBL30168284

SCHEMBL30168284

C[Si](C)(C)CCOCn1cc(C(N)=O)c2cccnc21

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.46
▸ CNR1 P21554 11/20 0.44
▸ CNR2 P34972 11/20 0.44
▸ HTR3A P46098 3/20 0.40
▸ ATM Q13315 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39

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
SCHEMBL25001937 0.89 CNR1 (0.45) NPC1CNR1CNR2HTR3AATM
SCHEMBL29822064 0.89 CNR2 (0.45) CNR1CNR2HTR3A
SCHEMBL30168307 0.87 CNR1 (0.46) CNR1CNR2HTR3AKDM4E
SCHEMBL2982363 0.84 ELANE (0.42) NPC1CNR1CNR2HTR3A
SCHEMBL21044790 0.82 DGAT1 (0.41) NPC1CNR1CNR2
SCHEMBL29748840 0.82 DGAT1 (0.41) NPC1CNR1CNR2
SCHEMBL20744082 0.81 NPC1 (0.39) NPC1
SCHEMBL30668697 0.81 NPC1 (0.39) NPC1
SCHEMBL31050029 0.80 DGAT1 (0.40) NPC1CNR1CNR2
SCHEMBL30848403 0.80 NPC1 (0.36) NPC1CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240343726-A1 PYRROLOPYRIDINE-3- AND 4-CARBOXAMIDE COMPOSITIONS AND METHODS FOR CELLULAR PROLIFERATION THE ROCKEFELLER UNIVERSITY (US) 2024-10-17 — — US disclosed
WO-2023015156-A1 PYRROLOPYRIDINE-3- AND 4-CARBOXAMIDE COMPOSITIONS AND METHODS FOR CELLULAR PROLIFERATION HUDSPETH A JAMES (US) 2023-02-09 — — 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 (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-20240343726-A1 PYRROLOPYRIDINE-3- AND 4-CARBOXAMIDE COMPOSITIONS AND METHODS FOR CELLULAR PROLIFERATION LATS1, LATS2, YAP1 NPC1 4281/4885CNR1 3250/4885CNR2 2699/4885

“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.

Send feedback