SCHEMBL29515907

SCHEMBL29515907

COc1cc2c(cc1Br)[C@@H](C)N(C)CC2

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 3/20 0.75
▸ HTR2C P28335 5/20 0.54
▸ HTR2B P41595 5/20 0.54
▸ HTR2A P28223 4/20 0.54
▸ KCNN2 Q9H2S1 4/20 0.50
▸ KCNN3 Q9UGI6 4/20 0.50
▸ KCNN1 Q92952 2/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ CA7 P43166 1/20 0.48
▸ BRD4 O60885 2/20 0.47
▸ LMNA P02545 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46

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
SCHEMBL26956106 1.00 MAOA (0.75) MAOAHTR2CHTR2BHTR2AKCNN2
SCHEMBL1760713 0.87 MAOA (0.97) MAOAKCNN2KCNN3KCNN1SMN1; SMN2
SCHEMBL19888927 0.87 MAOA (0.97) MAOAKCNN2KCNN3KCNN1SMN1; SMN2
SCHEMBL29382740 0.87 MAOA (0.97) MAOAKCNN2KCNN3KCNN1SMN1; SMN2
SCHEMBL8032032 0.84 MAOA (0.64) MAOAHTR2CHTR2AKCNN2KCNN3
SCHEMBL18256759 0.83 MAOA (0.77) MAOAKCNN2KCNN3KCNN1SMN1; SMN2
SCHEMBL24039929 0.82 MAOA (0.75) MAOAKCNN2KCNN3KCNN1SMN1; SMN2
SCHEMBL14739491 0.82 MAOA (0.86) MAOAMAPK1
SCHEMBL27156518 0.82 MAOA (0.75) MAOAKCNN2KCNN3KCNN1SMN1; SMN2
SCHEMBL29526418 0.81 MAOA (0.54) MAOAHTR2CHTR2BHTR2AKCNN2

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 3 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
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 MAOA 3869/4885HTR2C 3689/4885HTR2B 3926/4885

“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.

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