SCHEMBL21166371

SCHEMBL21166371

C#Cc1cc(C(C)(C)C)nc(C)n1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32

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
SCHEMBL12579013 0.78 HSD17B10 (0.45) KDM4EHSD17B10
SCHEMBL803483 0.72 KDM4E (0.40) KDM4EHSD17B10
SCHEMBL9004152 0.69 HDAC8 (0.31) —
SCHEMBL25530016 0.68 HSD17B10 (0.34) KDM4EHSD17B10
SCHEMBL26860466 0.68 HSD17B10 (0.34) KDM4EHSD17B10
SCHEMBL2625506 0.68 ALDH1A1 (0.38) KDM4EHSD17B10
SCHEMBL2718887 0.68 HSD17B10 (0.42) KDM4EHSD17B10
SCHEMBL2719104 0.68 HSD17B10 (0.34) KDM4EHSD17B10
SCHEMBL18075581 0.68 PDE2A (1.00) PDE2AKDM4E
SCHEMBL17322821 0.66 PDE2A (0.48) PDE2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10774052-B2 Heteroaryl compounds and uses thereof CELGENE CAR LLC (BM) 2020-09-15 — — US disclosed
US-10618902-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of protein kinases CELGENE CAR LLC (BM) 2020-04-14 — — US disclosed
US-20190218220-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-07-18 — — 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 (3 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-20190218220-A1 HETEROARYL COMPOUNDS AND USES THEREOF PRKACA, PRKDC, AURKC PDE2A 3549/4885KDM4E 2472/4885HSD17B10 2993/4885
US-10774052-B2 Heteroaryl compounds and uses thereof ABCG2, CYP3A43, CYP3A5 PDE2A 836/4885KDM4E 3792/4885HSD17B10 223/4885
US-10618902-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of protein kinases PDXK, DCK, DTYMK PDE2A 1379/4885KDM4E 1281/4885HSD17B10 4445/4885

“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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