SCHEMBL20516746

SCHEMBL20516746

COc1ccc(CN(Cc2ccc(OC)cc2)c2nccc(Br)c2C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
MAPT P10636 1/20 0.48
TSHR P16473 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
CHRM2 P08172 1/20 0.44
CYP3A4 P08684 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
DRD1 P21728 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
SLC6A4 P31645 1/20 0.44
CYP2C19 P33261 1/20 0.44
HRH1 P35367 1/20 0.44
OPRM1 P35372 1/20 0.44
HTR2B P41595 1/20 0.44
SLC6A3 Q01959 1/20 0.44

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
SCHEMBL30600902 1.00 LMNA (0.48) LMNAMAPTTSHRCYP1A2CYP2D6
SCHEMBL27033854 0.81 LMNA (0.56) LMNAMAPTTSHRCYP1A2CYP2D6
SCHEMBL20517065 0.81 LMNA (0.46) LMNAMAPTTSHRCYP1A2CYP2D6
SCHEMBL30600886 0.81 LMNA (0.46) LMNAMAPTTSHRCYP1A2CYP2D6
SCHEMBL26694723 0.80 CRHR1 (0.43) LMNAMAPTTSHRCYP1A2CYP2D6
SCHEMBL27044018 0.79 LMNA (0.41) LMNAMAPTTSHRCYP1A2CYP2D6
SCHEMBL30742985 0.77 LMNA (0.48) LMNAMAPTTSHRCYP1A2CYP2D6
SCHEMBL28361998 0.77 LMNA (0.57) LMNAMAPTTSHRCYP1A2CYP2D6
SCHEMBL31146891 0.75 LMNA (0.49) LMNAMAPTTSHRCYP1A2CYP2D6
SCHEMBL23547156 0.74 LMNA (0.54) LMNAMAPTTSHRCYP1A2CYP2D6

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
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
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 LMNA 3002/4885MAPT 4216/4885TSHR 4820/4885
US-11566003-B2 Isoquinolines as inhibitors of HPK1 HIPK1, HIPK2, IP6K1 LMNA 3272/4885MAPT 3947/4885TSHR 4810/4885
US-20210163417-A1 ISOQUINOLINES AS INHIBITORS OF HPK1 HIPK1, HIPK2, IP6K1 LMNA 3272/4885MAPT 3947/4885TSHR 4810/4885

“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.