SCHEMBL3401227

SCHEMBL3401227

Cc1c(B2OC(C)(C)C(C)(C)O2)cnn1C1CCCCO1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
CYP4F2 P78329 3/20 0.39
CYP4A11 Q02928 3/20 0.39
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
GAA P10253 1/20 0.33
UCHL1 P09936 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ATR Q13535 1/20 0.31
YTHDC1 Q96MU7 1/20 0.31
RET P07949 1/20 0.31
CYP2C19 P33261 1/20 0.30

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
SCHEMBL15388527 0.85 CYP4F2 (0.41) ALDH1A1LMNAPOLBCYP4F2CYP4A11
SCHEMBL32684583 0.84 ALDH1A1 (0.40) ALDH1A1LMNAPOLBCYP4F2CYP4A11
SCHEMBL1476055 0.84 ALDH1A1 (0.37) ALDH1A1LMNAPOLBCYP4F2CYP4A11
SCHEMBL23043800 0.81 CYP4F2 (0.38) ALDH1A1LMNAPOLBCYP4F2CYP4A11
SCHEMBL30392077 0.81 CYP4F2 (0.38) ALDH1A1LMNAPOLBCYP4F2CYP4A11
SCHEMBL26986555 0.81 ALDH1A1 (0.39) ALDH1A1LMNAPOLBCYP4F2CYP4A11
SCHEMBL29048976 0.81 ALDH1A1 (0.43) ALDH1A1LMNAPOLBCYP4F2CYP4A11
SCHEMBL20424091 0.80 RXRA (0.43) ALDH1A1LMNAPOLBCYP4F2CYP4A11
SCHEMBL30402376 0.80 RXRA (0.43) ALDH1A1LMNAPOLBCYP4F2CYP4A11
SCHEMBL24153533 0.80 RXRA (0.43) ALDH1A1LMNAPOLBCYP4F2CYP4A11

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
EP-4288426-B1 QUINOXALINE DERIVATIVES AND USES THEREOF BLACK DIAMOND THERAPEUTICS INC (US) 2026-02-04 EP disclosed
US-20240368181-A1 QUINOXALINE DERIVATIVES AND USES THEREOF BLACK DIAMOND THERAPEUTICS, INC. (US) 2024-11-07 US disclosed
EP-4288426-A1 QUINOXALINE DERIVATIVES AND USES THEREOF Black Diamond Therapeutics, Inc. (US) 2023-12-13 EP disclosed
CN-117203202-A Quinoxaline derivative and use thereof 黑钻治疗公司 2023-12-08 CN disclosed
CN-117024411-A Isoquinoline as HPK1 inhibitor 豪夫迈·罗氏有限公司 2023-11-10 CN disclosed
CN-110709392-B Isoquinoline as HPK1 inhibitor 豪夫迈·罗氏有限公司 2023-09-29 CN disclosed
US-11566003-B2 Isoquinolines as inhibitors of HPK1 GENENTECH, INC. (US) 2023-01-31 US disclosed
WO-2022170122-A1 QUINOXALINE DERIVATIVES AND USES THEREOF BLACK DIAMOND THERAPEUTICS, INC. (US) 2022-08-11 WO 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
EP-2146997-B1 SUBSTITUTED FURO[2,3-B]PYRIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2010-11-10 EP disclosed
US-20080269279-A1 Substituted furo[2,3-B] pyridine derivatives as cannabinoid-1 receptor modulators MERCK SHARP & DOHME CORP. 2008-10-30 US disclosed
US-20080269279-A1 Substituted furo[2,3-B] pyridine derivatives as cannabinoid-1 receptor modulators MERCK SHARP & DOHME CORP. 2008-10-30 US disclosed
WO-2008127585-A1 SUBSTITUTED FURO[2,3-B]PYRIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2008-10-23 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 (5 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-20080269279-A1 Substituted furo[2,3-B] pyridine derivatives as cannabinoid-1 receptor modulators CNR1, CNR2, FAAH ALDH1A1 2727/4885LMNA 1504/4885POLB 2038/4885
US-20180282282-A1 ISOQUINOLINES AS INHIBITORS OF HPK1 HIPK1, HPGDS, IP6K1 ALDH1A1 4542/4885LMNA 3002/4885POLB 2507/4885
US-11566003-B2 Isoquinolines as inhibitors of HPK1 HIPK1, HIPK2, IP6K1 ALDH1A1 4451/4885LMNA 3272/4885POLB 2131/4885
US-20210163417-A1 ISOQUINOLINES AS INHIBITORS OF HPK1 HIPK1, HIPK2, IP6K1 ALDH1A1 4451/4885LMNA 3272/4885POLB 2131/4885
US-20240368181-A1 QUINOXALINE DERIVATIVES AND USES THEREOF NQO2, NQO1, GLS ALDH1A1 701/4885LMNA 2121/4885POLB 750/4885

“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.