SCHEMBL9203151

SCHEMBL9203151

Cc1c(C(C)C)cnc2nc[nH]c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.47
▸ CDK2 P24941 3/20 0.42
▸ PDPK1 O15530 2/20 0.42
▸ LRRK2 Q5S007 2/20 0.42
▸ CHEK1 O14757 1/20 0.42
▸ AURKA O14965 1/20 0.42
▸ CHEK2 O96017 1/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ HSP90AB1 P08238 1/20 0.42
▸ PRKACA P17612 1/20 0.42
▸ CCNE1 P24864 1/20 0.42
▸ MARK3 P27448 1/20 0.42
▸ RPS6KA3 P51812 1/20 0.42
▸ PRKCD Q05655 1/20 0.42
▸ MARK2 Q7KZI7 1/20 0.42
▸ HSD17B10 Q99714 2/20 0.38
▸ TP53 P04637 2/20 0.38
▸ PI4KA P42356 2/20 0.37
▸ PI4K2B Q8TCG2 2/20 0.37
▸ PI4K2A Q9BTU6 2/20 0.37

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
SCHEMBL21334364 0.82 ALDH1A1 (0.41) ALDH1A1CDK2PDPK1LRRK2CHEK1
SCHEMBL21335009 0.78 ALDH1A1 (0.52) ALDH1A1CDK2PDPK1LRRK2CHEK1
SCHEMBL10441259 0.77 ALDH1A1 (0.38) ALDH1A1CDK2PDPK1LRRK2CHEK1
SCHEMBL15367225 0.74 ALDH1A1 (0.48) ALDH1A1CDK2PDPK1LRRK2CHEK1
SCHEMBL16739940 0.74 ALDH1A1 (0.48) ALDH1A1CDK2PDPK1LRRK2CHEK1
SCHEMBL23790560 0.74 ALDH1A1 (0.48) ALDH1A1CDK2PDPK1LRRK2CHEK1
SCHEMBL10441257 0.73 BRD4 (0.42) ALDH1A1CDK2PDPK1LRRK2CHEK1
SCHEMBL23771325 0.72 ALDH1A1 (0.50) ALDH1A1CDK2PDPK1LRRK2CHEK1
SCHEMBL2563730 0.68 ADORA3 (0.51) ALDH1A1HSD17B10LMNASMN1; SMN2BRD4
SCHEMBL24995361 0.68 CDK2 (0.41) ALDH1A1CDK2PDPK1TP53XDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025922-A1 TETRAHYDROPYRIDO[3,4-d]PYRIMIDINES AS HPK1 INHIBITORS MERCK HEALTHCARE KGAA (DE) 2024-01-25 — — US disclosed
US-20240025922-A1 TETRAHYDROPYRIDO[3,4-d]PYRIMIDINES AS HPK1 INHIBITORS MERCK HEALTHCARE KGAA (DE) 2024-01-25 — — US disclosed
US-11566003-B2 Isoquinolines as inhibitors of HPK1 GENENTECH, INC. (US) 2023-01-31 — — US disclosed
US-20210277024-A1 NAPHTHYRIDINE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2021-09-09 — — US disclosed
US-20210253580-A1 ISOQUINOLINE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2021-08-19 — — US disclosed
US-11034692-B1 Naphthyridines as inhibitors of HPK1 GENENTECH, INC. (US) 2021-06-15 — — US disclosed
US-20210163417-A1 ISOQUINOLINES AS INHIBITORS OF HPK1 GENENTECH, INC. (US) 2021-06-03 — — US disclosed
WO-2020072695-A1 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-04-09 — — WO 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
WO-2020023551-A1 NAPHTHYRIDINE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-01-30 — — WO disclosed
US-10407424-B2 Naphthyridines as inhibitors of HPK1 GENENTECH, INC. (US) 2019-09-10 — — US disclosed
EP-0517812-A4 ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO INC (US) 1995-10-18 — — EP disclosed
US-5240938-A Angiotensin II antagonists incorporating a substituted pyridoimidazolyl ring MERCK & CO., INC. (US) 1993-08-31 — — US disclosed
EP-0543491-A2 Angiotensin II antagonists having a substituted 1,3-benzodioxolering or 1,3-benzodithiolering MERCK & CO. INC. (US) 1993-05-26 — — EP disclosed
EP-0517812-A1 ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO. INC. (US) 1992-12-16 — — EP disclosed
WO-1991011999-A1 ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO., INC. (US) 1991-08-22 — — 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 (7 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 4630/4885CDK2 2997/4885PDPK1 75/4885
US-20240025922-A1 TETRAHYDROPYRIDO[3,4-d]PYRIMIDINES AS HPK1 INHIBITORS PDXK, DTYMK, HIPK1 ALDH1A1 3576/4885CDK2 257/4885PDPK1 29/4885
US-20210277024-A1 NAPHTHYRIDINE COMPOUNDS AND USES THEREOF NEK1, NEK11, NEK5 ALDH1A1 3511/4885CDK2 1466/4885PDPK1 48/4885
US-11034692-B1 Naphthyridines as inhibitors of HPK1 NEK1, NEK5, NEK11 ALDH1A1 4630/4885CDK2 2997/4885PDPK1 75/4885
US-20210253580-A1 ISOQUINOLINE COMPOUNDS AND USES THEREOF HIPK1, HPGDS, IP6K1 ALDH1A1 3680/4885CDK2 913/4885PDPK1 35/4885
US-11566003-B2 Isoquinolines as inhibitors of HPK1 HIPK1, HIPK2, IP6K1 ALDH1A1 4451/4885CDK2 1223/4885PDPK1 42/4885
US-20210163417-A1 ISOQUINOLINES AS INHIBITORS OF HPK1 HIPK1, HIPK2, IP6K1 ALDH1A1 4451/4885CDK2 1223/4885PDPK1 42/4885

“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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