SCHEMBL26956169

SCHEMBL26956169

CC1Cc2ccc(Br)cc2CN1C

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PNMT P11086 9/20 0.49
ADRA2A P08913 4/20 0.49
ADRA2B P18089 3/20 0.49
ADRA2C P18825 3/20 0.49
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
BRD4 O60885 1/20 0.39
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
HSD17B3 P37058 1/20 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
SCHEMBL15636357 0.78 PNMT (0.46) PNMTADRA2AADRA2BADRA2COPRM1
SCHEMBL15636358 0.78 PNMT (0.46) PNMTADRA2AADRA2BADRA2COPRM1
Hydrochloric Acid SCHEMBL7506644 0.77 MAPT (0.39) OPRM1OPRD1OPRK1HSD17B3
Hydrochloric Acid SCHEMBL8598174 0.77
SCHEMBL31335948 0.76 HSD17B3 (0.45) PNMTADRA2AADRA2BADRA2COPRM1
SCHEMBL8030397 0.75 MAOA (0.43) OPRM1
SCHEMBL8324725 0.75 MAOA (0.43) OPRM1
SCHEMBL15222058 0.75 MAOA (0.43) OPRM1
SCHEMBL18100258 0.73 OPRM1 (0.45) PNMTADRA2AADRA2BADRA2COPRM1
SCHEMBL14158735 0.73 ADRA2A (0.42) PNMTADRA2AADRA2BADRA2COPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230399341-A1 7-PHENYL SUBSTITUTED 2-AMINOQUINAZOLINE INHIBITORS OF HPK1 MERCK SHARP & DOHME LLC (US) 2023-12-14 US disclosed
US-20230399341-A1 7-PHENYL SUBSTITUTED 2-AMINOQUINAZOLINE INHIBITORS OF HPK1 MERCK SHARP & DOHME LLC (US) 2023-12-14 US disclosed
US-20230399341-A1 7-PHENYL SUBSTITUTED 2-AMINOQUINAZOLINE INHIBITORS OF HPK1 MERCK SHARP & DOHME LLC (US) 2023-12-14 US disclosed
EP-4240363-A1 7-PHENYL SUBSTITUTED 2-AMINOQUINAZOLINE INHIBITORS OF HPK1 Merck Sharp & Dohme LLC (US) 2023-09-13 EP disclosed
WO-2022098806-A1 7-PHENYL SUBSTITUTED 2-AMINOQUINAZOLINE INHIBITORS OF HPK1 MERCK SHARP & DOHME CORP. (US) 2022-05-12 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 (1 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-20230399341-A1 7-PHENYL SUBSTITUTED 2-AMINOQUINAZOLINE INHIBITORS OF HPK1 PHKG1, PDXK, HIPK1 PNMT 2502/4885ADRA2A 4257/4885ADRA2B 4281/4885

“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.