SCHEMBL17114242

SCHEMBL17114242

COC(=O)c1ccn2c(N)c(-c3ccccc3)nc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 10/20 0.60
▸ AKT2 P31751 10/20 0.60
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ PLAU P00749 1/20 0.46
▸ CGAS Q8N884 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ DAPK3 O43293 1/20 0.43
▸ JAK2 O60674 1/20 0.43
▸ PRKD3 O94806 1/20 0.43
▸ MAP4K4 O95819 1/20 0.43
▸ ABL1 P00519 1/20 0.43

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
SCHEMBL25417148 0.98 AKT1 (0.61) AKT1AKT2NPC1RAB9APLAU
SCHEMBL25415908 0.90 AKT1 (0.54) AKT1AKT2NPC1RAB9APLAU
SCHEMBL25415193 0.88 AKT1 (0.52) AKT1AKT2NPC1RAB9APLAU
SCHEMBL25416724 0.88 AKT1 (0.51) AKT1AKT2NPC1RAB9APLAU
SCHEMBL18776373 0.86 AKT1 (0.58) AKT1AKT2NPC1RAB9ACGAS
SCHEMBL25417063 0.85 AKT1 (0.46) AKT1AKT2PLAUALDH1A1KDM4E
SCHEMBL16003629 0.85 AKT1 (0.58) AKT1AKT2NPC1RAB9APLAU
SCHEMBL25416172 0.83 AKT1 (0.45) AKT1AKT2PLAUKDM4EPTK2
SCHEMBL25416128 0.83 AKT1 (0.47) AKT1AKT2NPC1RAB9APLAU
SCHEMBL20579805 0.81 NPC1 (0.77) AKT1AKT2NPC1RAB9APLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260071117-A1 FUNABLE FLUORESCENT COMPOUNDS AND USES THEREOF UNIV ARIZONA (US) 2026-03-12 — — US disclosed
WO-2023081261-A1 TUNABLE FLUORESCENT COMPOUNDS AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2023-05-11 — — WO disclosed
EP-3122345-B1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME (US) 2020-12-16 — — EP disclosed
EP-3122345-B1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME (US) 2020-12-16 — — EP disclosed
US-9862716-B2 TRKA kinase inhibitors, compositions and methods thereof MERCK SHARP & DOHME CORP. (US) 2018-01-09 — — US disclosed
US-20170114056-A1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2017-04-27 — — US disclosed
US-20170114056-A1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2017-04-27 — — US disclosed
EP-3122345-A2 TrkA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF Merck Sharp & Dohme Corp. (US) 2017-02-01 — — EP disclosed
WO-2015148373-A2 TrkA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2015-10-01 — — WO disclosed
WO-2015148373-A2 TrkA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2015-10-01 — — WO disclosed
WO-2015143652-A1 TrkA KINASE INHIBITORS,COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2015-10-01 — — 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 (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-20260071117-A1 FUNABLE FLUORESCENT COMPOUNDS AND USES THEREOF H1-3, NISCH, H1-2 AKT1 3389/4885AKT2 3506/4885NPC1 2638/4885
US-20170114056-A1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF NGFR, NGF, NTRK2 AKT1 408/4885AKT2 776/4885NPC1 1508/4885

“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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