SCHEMBL21335009

SCHEMBL21335009

Cc1cnc2nc[nH]c2c1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.52
▸ PDPK1 O15530 4/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ LRRK2 Q5S007 2/20 0.41
▸ TP53 P04637 2/20 0.41
▸ CHEK1 O14757 1/20 0.41
▸ AURKA O14965 1/20 0.41
▸ CHEK2 O96017 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ HSP90AB1 P08238 1/20 0.41
▸ PRKACA P17612 1/20 0.41
▸ CCNE1 P24864 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ MARK3 P27448 1/20 0.41
▸ RPS6KA3 P51812 1/20 0.41
▸ PRKCD Q05655 1/20 0.41
▸ MARK2 Q7KZI7 1/20 0.41
▸ PI4KA P42356 2/20 0.41
▸ PI4K2B Q8TCG2 2/20 0.41
▸ PI4K2A Q9BTU6 2/20 0.41

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
SCHEMBL15367225 0.79 ALDH1A1 (0.48) ALDH1A1PDPK1HSD17B10LRRK2TP53
SCHEMBL23790560 0.79 ALDH1A1 (0.48) ALDH1A1PDPK1HSD17B10LRRK2TP53
SCHEMBL16739940 0.79 ALDH1A1 (0.48) ALDH1A1PDPK1HSD17B10LRRK2TP53
SCHEMBL9203151 0.78 ALDH1A1 (0.47) ALDH1A1PDPK1HSD17B10LRRK2TP53
SCHEMBL23771325 0.76 ALDH1A1 (0.50) ALDH1A1PDPK1HSD17B10LRRK2TP53
SCHEMBL21334364 0.72 ALDH1A1 (0.41) ALDH1A1PDPK1HSD17B10LRRK2TP53
SCHEMBL2563730 0.72 ADORA3 (0.51) ALDH1A1HSD17B10LMNABRD4SMN1; SMN2
SCHEMBL18819883 0.70 PDPK1 (0.48) ALDH1A1PDPK1HSD17B10LRRK2TP53
SCHEMBL2493987 0.70 BRD4 (0.51) ALDH1A1PDPK1HSD17B10LRRK2TP53
Hypoxanthine SCHEMBL25381 0.69 ALDH1A1 (1.00) ALDH1A1PDPK1HSD17B10LRRK2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023220541-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES COMPOUNDS AS HPK1 INHIBITORS MERCK PATENT GMBH (DE) 2023-11-16 — — WO disclosed
EP-3826721-B1 NAPHTHYRIDINE COMPOUNDS AND USES THEREOF HOFFMANN LA ROCHE (CH) 2023-10-11 — — EP disclosed
WO-2020069402-A1 CINNOLINE COMPOUNDS AND FOR THE TREATMENT OF HPK1-DEPENDENT DISORDERS SUCH AS CANCER GENENTECH, INC. (US) 2020-04-02 — — WO disclosed
US-10407424-B2 Naphthyridines as inhibitors of HPK1 GENENTECH, INC. (US) 2019-09-10 — — 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-10407424-B2 Naphthyridines as inhibitors of HPK1 NEK1, NEK5, NEK11 ALDH1A1 4630/4885PDPK1 75/4885HSD17B10 1905/4885

“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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