SCHEMBL20516645

SCHEMBL20516645

O=C(O)C1CC1c1ccnn1C1CCCCO1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 5/20 0.42
CYP4A11 Q02928 5/20 0.42
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
ATR Q13535 12/20 0.38
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL20516647 1.00 CYP4F2 (0.42) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL23429555 1.00 CYP4F2 (0.42) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL20518083 0.82 CYP4F2 (0.44) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL23429579 0.82 CYP4F2 (0.44) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL20516830 0.82 CYP4F2 (0.44) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL15465183 0.80 CYP4F2 (0.44) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL18192102 0.80 CYP4F2 (0.44) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL15465184 0.80 CYP4F2 (0.44) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL15465688 0.78 CYP4F2 (0.44) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL15465690 0.78 CYP4F2 (0.44) CYP4F2CYP4A11RXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-3601259-A1 ISOQUINOLINES AS INHIBITORS OF HPK1 H. Hoffnabb-La Roche Ag (CH) 2020-02-05 EP 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
WO-2018183964-A1 ISOQUINOLINES AS INHIBITORS OF HPK1 GENENTECH, INC. (US) 2018-10-04 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 (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 CYP4F2 2710/4885CYP4A11 3501/4885RXRA 3568/4885
US-11566003-B2 Isoquinolines as inhibitors of HPK1 HIPK1, HIPK2, IP6K1 CYP4F2 2720/4885CYP4A11 3344/4885RXRA 3195/4885
US-20210163417-A1 ISOQUINOLINES AS INHIBITORS OF HPK1 HIPK1, HIPK2, IP6K1 CYP4F2 2720/4885CYP4A11 3344/4885RXRA 3195/4885

“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.