SCHEMBL20516611

SCHEMBL20516611

C[C@H](CN(C)C)Oc1nc(Nc2cc3cccc(N)c3cn2)cnc1C#N

nearest known ligand 0.82

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 20/20 0.82
KCNH2 Q12809 9/20 0.82
CHEK2 O96017 7/20 0.82
CDK1 P06493 2/20 0.82

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
SCHEMBL20516616 1.00 CHEK1 (0.82) CHEK1KCNH2CHEK2CDK1
SCHEMBL30637885 1.00 CHEK1 (0.82) CHEK1KCNH2CHEK2CDK1
SCHEMBL12985426 0.91 CHEK1 (0.82) CHEK1KCNH2CHEK2CDK1
SCHEMBL12984696 0.91 CHEK1 (0.82) CHEK1KCNH2CHEK2CDK1
SCHEMBL13029116 0.91 CHEK1 (0.82) CHEK1KCNH2CHEK2CDK1
SCHEMBL1396946 0.90 CHEK1 (1.00) CHEK1KCNH2CHEK2CDK1
SCHEMBL13028631 0.90 CHEK1 (0.80) CHEK1KCNH2CHEK2CDK1
SCHEMBL1396948 0.90 CHEK1 (1.00) CHEK1KCNH2CHEK2CDK1
SCHEMBL13029735 0.90 CHEK1 (0.80) CHEK1KCNH2CHEK2CDK1
SCHEMBL30503387 0.90 CHEK1 (1.00) CHEK1KCNH2CHEK2CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117024411-A Isoquinoline as HPK1 inhibitor 豪夫迈·罗氏有限公司 2023-11-10 CN claimed
CN-110709392-A Isoquinoline as HPK1 inhibitors 豪夫迈·罗氏有限公司 2020-01-17 CN claimed
US-20180282282-A1 ISOQUINOLINES AS INHIBITORS OF HPK1 GENENTECH, INC. (US) 2018-10-04 US claimed
US-11566003-B2 Isoquinolines as inhibitors of HPK1 GENENTECH, INC. (US) 2023-01-31 US disclosed
EP-3601259-B1 ISOQUINOLINES AS INHIBITORS OF HPK1 HOFFMANN LA ROCHE (CH) 2022-02-23 EP disclosed
US-20210163417-A1 ISOQUINOLINES AS INHIBITORS OF HPK1 GENENTECH, INC. (US) 2021-06-03 US disclosed
CN-110709392-A Isoquinoline as HPK1 inhibitors 豪夫迈·罗氏有限公司 2020-01-17 CN disclosed
US-20180282282-A1 ISOQUINOLINES AS INHIBITORS OF HPK1 GENENTECH, INC. (US) 2018-10-04 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-20180282282-A1 ISOQUINOLINES AS INHIBITORS OF HPK1 HIPK1, HPGDS, IP6K1 CHEK1 376/4885KCNH2 3191/4885CHEK2 385/4885
US-11566003-B2 Isoquinolines as inhibitors of HPK1 HIPK1, HIPK2, IP6K1 CHEK1 323/4885KCNH2 3303/4885CHEK2 316/4885
US-20210163417-A1 ISOQUINOLINES AS INHIBITORS OF HPK1 HIPK1, HIPK2, IP6K1 CHEK1 323/4885KCNH2 3303/4885CHEK2 316/4885

“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.