SCHEMBL4333658

SCHEMBL4333658

NCc1nc2cccnc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
NUDT1 P36639 2/20 0.37
AXL P30530 1/20 0.37
CACNA1H O95180 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RIPK1 Q13546 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.35
CDK1 P06493 2/20 0.35
CDK2 P24941 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
DDAH1 O94760 1/20 0.34
POLB P06746 1/20 0.34
DAO P14920 1/20 0.34

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
Hydrochloric Acid SCHEMBL4472373 0.98 PKM (0.37) ALDH1A1NUDT1AXLCACNA1HNPC1
Hydrochloric Acid SCHEMBL28952865 0.98 PKM (0.37) ALDH1A1NUDT1AXLCACNA1HNPC1
SCHEMBL7002587 0.85 GAA (0.42) ALDH1A1NUDT1AXLNPC1RAB9A
SCHEMBL2972100 0.81 ALDH1A1 (0.38) ALDH1A1NUDT1AXLNPC1RAB9A
SCHEMBL4361327 0.81 DDAH1 (0.55) ALDH1A1NUDT1AXLNPC1RAB9A
SCHEMBL18291869 0.81 ALDH1A1 (0.38) ALDH1A1NUDT1AXLNPC1RAB9A
SCHEMBL5264712 0.81 ALDH1A1 (0.38) ALDH1A1NUDT1AXLNPC1RAB9A
SCHEMBL8288254 0.81 MAPT (0.40) ALDH1A1NUDT1AXLNPC1RAB9A
SCHEMBL4347806 0.81 RIPK1 (0.43) ALDH1A1NUDT1AXLNPC1RAB9A
Hydrochloric Acid SCHEMBL18765156 0.80 PKM (0.37) ALDH1A1NUDT1AXLNPC1RAB9A

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016029146-A1 SPECIFIC INHIBITORS OF METHIONYL-TRNA SYNTHETASE UNIVERSITY OF WASHINGTON (US) 2016-02-25 WO claimed
WO-2026101698-A1 HEPCIDIN MIMETIC COMPOUNDS AND USES THEREOF PROTAGONIST THERAPEUTICS, INC. (US) 2026-05-15 WO disclosed
US-12600719-B2 Salt inducible kinase inhibitors THE GENERAL HOSPITAL CORPORATION (US) 2026-04-14 US disclosed
EP-4660192-A1 SALT INDUCIBLE KINASE INHIBITORS The General Hospital Corporation (US) 2025-12-10 EP disclosed
US-20240025892-A1 SALT INDUCIBLE KINASE INHIBITORS THE GENERAL HOSPITAL CORPORATION 2024-01-25 US disclosed
EP-4192459-A1 SALT INDUCIBLE KINASE INHIBITORS The General Hospital Corporation (US) 2023-06-14 EP disclosed
WO-2022031928-A1 SALT INDUCIBLE KINASE INHIBITORS THE GENERAL HOSPITAL CORPORATION (US) 2022-02-10 WO disclosed
US-10913736-B2 Specific inhibitors of methionyl-tRNA synthetase UNIVERSITY OF WASHINGTON (US) 2021-02-09 US disclosed
US-10201525-B2 Tetrazole-substituted arylamides as PX2 and PX2/3 antagonists ROCHE PALO ALTO LLC (US) 2019-02-12 US disclosed
US-20170275279-A1 SPECIFIC INHIBITORS OF METHIONYL-TRNA SYNTHETASE UNIVERSITY OF WASHINGTON 2017-09-28 US disclosed
US-20080004442-A1 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC 2008-01-03 US disclosed
US-7301026-B2 Process for making fluorinated 4-azasteroid derivatives MERCK & CO., INC (US) 2007-11-27 US disclosed
US-7301026-B2 Process for making fluorinated 4-azasteroid derivatives MERCK & CO., INC (US) 2007-11-27 US disclosed
WO-2007067490-A1 POLYMORPHS OF ANDROGEN RECEPTOR MODULATOR - (N-3H-IMIDAZO [4 , 5-B] PYRIDIN-2-YL-METHYL) -2-FLUORO-4-METHYL-3-OXO-4-AZA-ANDROST- l-EN-17 . BETA . -CARBOXAMIDE MERCK & CO., INC. (US) 2007-06-14 WO disclosed
US-20070129548-A1 Polymorphs of an androgen receptor modulator MERCK SHARP & DOHME CORP. 2007-06-07 US disclosed
US-20070088042-A1 Fluorinated 4-azasteroid derivatives as androgen receptor modulators MEISSNER ROBERT S 2007-04-19 US disclosed
US-20070088042-A1 Fluorinated 4-azasteroid derivatives as androgen receptor modulators MEISSNER ROBERT S 2007-04-19 US disclosed
US-7186838-B2 Fluorinated 4-azasteroid derivatives as androgen receptor modulators MERCK & CO., INC. (US) 2007-03-06 US disclosed
US-7186838-B2 Fluorinated 4-azasteroid derivatives as androgen receptor modulators MERCK & CO., INC. (US) 2007-03-06 US disclosed
US-7105508-B1 Integrin receptors antagonists ABBOTT GMBH & CO. KG (DE) 2006-09-12 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 (8 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-12600719-B2 Salt inducible kinase inhibitors GRK6, SGK1, CSNK1A1 ALDH1A1 3553/4885NUDT1 4139/4885AXL 3936/4885
US-20070129548-A1 Polymorphs of an androgen receptor modulator SHBG, AR, BRCA1 ALDH1A1 2249/4885NUDT1 4733/4885AXL 4135/4885
US-20070088042-A1 Fluorinated 4-azasteroid derivatives as androgen receptor modulators FSHR, AR, NR5A1 ALDH1A1 1486/4885NUDT1 3837/4885AXL 2655/4885
US-10201525-B2 Tetrazole-substituted arylamides as PX2 and PX2/3 antagonists P2RX2, P2RX3, TPX2 ALDH1A1 4311/4885NUDT1 1839/4885AXL 1247/4885
US-20170275279-A1 SPECIFIC INHIBITORS OF METHIONYL-TRNA SYNTHETASE AARS1, MTR, GARS1 ALDH1A1 2330/4885NUDT1 378/4885AXL 4568/4885
US-20240025892-A1 SALT INDUCIBLE KINASE INHIBITORS SGK1, SGK2, SIK1 ALDH1A1 4420/4885NUDT1 3984/4885AXL 3892/4885
US-20080004442-A1 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists P2RX3, P2RX2, P2RX5 ALDH1A1 2080/4885NUDT1 1128/4885AXL 1469/4885
US-10913736-B2 Specific inhibitors of methionyl-tRNA synthetase AARS1, MTR, GARS1 ALDH1A1 2330/4885NUDT1 378/4885AXL 4568/4885

“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.