SCHEMBL171634

SCHEMBL171634

Ic1ccc2[nH]nnc2c1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.44
PARP1 P09874 1/20 0.32
TGM2 P21980 1/20 0.31
CES1 P23141 1/20 0.31
CD40 P25942 1/20 0.30
CD40LG P29965 1/20 0.30

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
SCHEMBL2145072 0.83 NOS1 (0.39) NOS1PARP1TGM2CES1
SCHEMBL19640293 0.77 CLK1 (0.34) CD40CD40LG
SCHEMBL23348984 0.76 CLK1 (0.37) CD40CD40LG
SCHEMBL7261306 0.74
SCHEMBL242787 0.74 ALDH1A1 (0.48)
SCHEMBL204484 0.74 NOS1 (0.44) NOS1
SCHEMBL103309 0.74 CYP1A2 (0.39) NOS1PARP1
SCHEMBL103404 0.74 METAP2 (0.38)
SCHEMBL1156044 0.74
SCHEMBL111984 0.74 DYRK1A (0.48)

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
CN-122061184-A Gas diffusion electrode and method for producing same 香港城市大学深圳研究院 2026-05-19 CN claimed
US-12590224-B2 Chemical mechanical polishing compositions and methods of use thereof FUJIFILM ELECTRONIC MATERIALS U.S.A., INC. (US) 2026-03-31 US claimed
EP-4647474-A2 CHEMICAL MECHANICAL POLISHING COMPOSITIONS AND METHODS OF USE THEREOF FUJIFILM Electronic Materials U.S.A., Inc. (US) 2025-11-12 EP claimed
EP-4263734-A1 CHEMICAL MECHANICAL POLISHING COMPOSITIONS AND METHODS OF USE THEREOF FUJIFILM Electronic Materials U.S.A, Inc. (US) 2023-10-25 EP claimed
WO-2022140075-A1 CHEMICAL MECHANICAL POLISHING COMPOSITIONS AND METHODS OF USE THEREOF FUJIFILM ELECTRONIC MATERIALS U.S.A., INC. (US) 2022-06-30 WO claimed
US-20220195241-A1 CHEMICAL MECHANICAL POLISHING COMPOSITIONS AND METHODS OF USE THEREOF FUJIFILM ELECTRIC MATERIALS U.S.A., INC. (US) 2022-06-23 US claimed
CN-122061184-A Gas diffusion electrode and method for producing same 香港城市大学深圳研究院 2026-05-19 CN disclosed
US-12590224-B2 Chemical mechanical polishing compositions and methods of use thereof FUJIFILM ELECTRONIC MATERIALS U.S.A., INC. (US) 2026-03-31 US disclosed
EP-4647474-A2 CHEMICAL MECHANICAL POLISHING COMPOSITIONS AND METHODS OF USE THEREOF FUJIFILM Electronic Materials U.S.A., Inc. (US) 2025-11-12 EP disclosed
EP-4263734-A1 CHEMICAL MECHANICAL POLISHING COMPOSITIONS AND METHODS OF USE THEREOF FUJIFILM Electronic Materials U.S.A, Inc. (US) 2023-10-25 EP disclosed
WO-2022140075-A1 CHEMICAL MECHANICAL POLISHING COMPOSITIONS AND METHODS OF USE THEREOF FUJIFILM ELECTRONIC MATERIALS U.S.A., INC. (US) 2022-06-30 WO disclosed
US-20220195241-A1 CHEMICAL MECHANICAL POLISHING COMPOSITIONS AND METHODS OF USE THEREOF FUJIFILM ELECTRIC MATERIALS U.S.A., INC. (US) 2022-06-23 US disclosed
EP-3611174-B1 [1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE DERIVATIVE AS A2A RECEPTOR INHIBITOR MEDSHINE DISCOVERY INC (CN) 2022-06-08 EP disclosed
US-20120214782-A1 New compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 US disclosed
US-20120214782-A1 New compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 US disclosed
WO-2012032014-A1 ETHYNE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-15 WO disclosed
EP-2426106-A1 Piperidine and Piperazine derivatives for the treatment of tumours Merck Patent GmbH (DE) 2012-03-07 EP disclosed
WO-2011140442-A1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-11-10 WO disclosed
WO-2009046841-A2 PIPERIDINE AND PIPERAZINE DERIVATIVES FOR TREATING TUMOURS MERCK PATENT GMBH (DE) 2009-04-16 WO disclosed
WO-2009046842-A2 THIAZOL DERIVATIVES FOR TREATING CANCER MERCK PATENT GMBH (DE) 2009-04-16 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-12590224-B2 Chemical mechanical polishing compositions and methods of use thereof PHOSPHO1, ACP1, PLEC NOS1 1429/4885PARP1 943/4885TGM2 3759/4885
US-20120214782-A1 New compounds, pharmaceutical compositions and uses thereof ABCG2, PGA5, PDE6G NOS1 3528/4885PARP1 4043/4885TGM2 1576/4885

“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.