SCHEMBL29580332

SCHEMBL29580332

CN(C)C(=O)c1cc2ccccc2n1C

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 1/20 0.67
▸ SLC9A1 P19634 1/20 0.56
▸ MAPT P10636 1/20 0.55
▸ OPRM1 P35372 2/20 0.54
▸ OPRL1 P41146 2/20 0.54
▸ MEN1 O00255 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ DAO P14920 1/20 0.49
▸ SYK P43405 1/20 0.48
▸ IDO1 P14902 1/20 0.48

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
SCHEMBL8568554 1.00 MCL1 (0.67) MCL1SLC9A1MAPTOPRM1OPRL1
SCHEMBL6368871 0.84 MCL1 (0.59) MCL1SLC9A1MAPTOPRM1OPRL1
SCHEMBL16599480 0.82 MCL1 (0.76) MCL1SLC9A1MAPTMEN1NPC1
SCHEMBL117186 0.80 MCL1 (1.00) MCL1SLC9A1MAPTMEN1NPC1
SCHEMBL401039 0.80 MCL1 (0.73) MCL1SLC9A1MAPTMEN1NPC1
SCHEMBL31435640 0.79 MCL1 (0.69) MCL1ALDH1A1
SCHEMBL22022199 0.79 RXFP1 (0.59) MCL1MEN1KMT2AALDH1A1
SCHEMBL29623497 0.79 MCL1 (0.53) MCL1ALDH1A1SYK
SCHEMBL17102355 0.79 MCL1 (0.53) MCL1ALDH1A1SYK
SCHEMBL2323444 0.79 MCL1 (0.71) MCL1SLC9A1MAPTMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11958850-B2 Heteroaryl compounds for kinase inhibition TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-04-16 — — US disclosed
US-20230102829-A1 Heteroaryl Compounds For Kinase Inhibition ARIAD PHARMACEUTICALS, INC. 2023-03-30 — — 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 (2 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-11958850-B2 Heteroaryl compounds for kinase inhibition ERBB2, EGFR, ERBB3 MCL1 544/4885SLC9A1 4684/4885MAPT 1164/4885
US-20230102829-A1 Heteroaryl Compounds For Kinase Inhibition ERBB2, EGFR, ERBB3 MCL1 544/4885SLC9A1 4684/4885MAPT 1164/4885

“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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