SCHEMBL8771575

SCHEMBL8771575

CN(C)C(=O)c1ncc(N)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
MAPT P10636 1/20 0.40
MAP4K1 Q92918 8/20 0.38
ATR Q13535 1/20 0.36
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
LRRK2 Q5S007 1/20 0.33
CYP3A4 P08684 2/20 0.33
EGLN1 Q9GZT9 1/20 0.33
ALPL P05186 1/20 0.33
THRB P10828 1/20 0.32
MTOR P42345 2/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
MET P08581 1/20 0.32

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
SCHEMBL29883149 1.00 ALDH1A1 (0.40) ALDH1A1MAPTMAP4K1ATRLMNA
SCHEMBL18930590 0.79 ALDH1A1 (0.40) ALDH1A1MAPTMAP4K1LMNAKMT2A
SCHEMBL29882423 0.79 ALDH1A1 (0.47) ALDH1A1MAPTMAP4K1LMNAKMT2A
SCHEMBL18921616 0.79 ALDH1A1 (0.47) ALDH1A1MAPTMAP4K1LMNAKMT2A
SCHEMBL23608682 0.77 MALT1 (0.39) ALDH1A1MAPTMAP4K1ATRLMNA
SCHEMBL20918389 0.77 ALDH1A1 (0.39) ALDH1A1MAPTMAP4K1LMNAKMT2A
SCHEMBL28595145 0.76 ALDH1A1 (0.39) ALDH1A1MAPTMAP4K1ATRLMNA
SCHEMBL17512626 0.76 NQO2 (0.44) ALDH1A1MAPT
SCHEMBL17512465 0.76 SCN10A (0.43)
SCHEMBL23581058 0.76 MAP4K1 (0.35) MAP4K1CYP3A4EGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260124222-A1 ISOTHIAZOLYLCARBOXAMIDE COMPOUNDS AND THEIR USE IN THERAPY HOTSPOT THERAPEUTICS INC (US) 2026-05-07 US disclosed
WO-2024059559-A1 ISOTHIAZOLYLCARBOXAMIDE COMPOUNDS AND THEIR USE IN THERAPY HOTSPOT THERAPEUTICS, INC. (US) 2024-03-21 WO disclosed
US-20240018157-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRÖDINGER, INC. 2024-01-18 US disclosed
US-20240018157-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRÖDINGER, INC. 2024-01-18 US disclosed
US-20240018157-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRÖDINGER, INC. 2024-01-18 US disclosed
EP-4081526-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME Schrödinger, Inc. (US) 2022-11-02 EP disclosed
WO-2021134004-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRODINGER, INC. (US) 2021-07-01 WO disclosed
WO-2021134004-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRODINGER, INC. (US) 2021-07-01 WO disclosed
US-20200289514-A1 Novel Pyrazolo Pyrimidine Derivatives NOVARTIS PHARMA AG (CH) 2020-09-17 US disclosed
US-20200289514-A1 Novel Pyrazolo Pyrimidine Derivatives NOVARTIS PHARMA AG (CH) 2020-09-17 US disclosed
EP-3374361-A1 NOVEL PYRAZOLO PYRIMIDINE DERIVATIVES Novartis AG (CH) 2018-09-19 EP disclosed
WO-2017081641-A1 NOVEL PYRAZOLO PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2017-05-18 WO disclosed
WO-2017081641-A1 NOVEL PYRAZOLO PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2017-05-18 WO disclosed
EP-0473267-B1 Acylaminopyridinecarboxamides, process for their preparation and their use as fungicides ZENECA LTD (GB) 1997-10-01 EP disclosed
US-5334722-A For plants IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-08-02 US disclosed
EP-0473267-A2 Acylaminopyridinecarboxamides, process for their preparation and their use as fungicides ZENECA LIMITED (GB) 1992-03-04 EP 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 (3 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-20200289514-A1 Novel Pyrazolo Pyrimidine Derivatives MMEL1, PPME1, CTSC ALDH1A1 3274/4885MAPT 3426/4885MAP4K1 1437/4885
US-20240018157-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME MALT1, FKBP1B, FKBP1A ALDH1A1 2190/4885MAPT 3951/4885MAP4K1 1925/4885
US-20260124222-A1 ISOTHIAZOLYLCARBOXAMIDE COMPOUNDS AND THEIR USE IN THERAPY MALT1, BCL6, BCL6B ALDH1A1 1842/4885MAPT 4523/4885MAP4K1 4331/4885

“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.