SCHEMBL5651750

SCHEMBL5651750

Cc1cc(N)ccc1CC#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
PDE10A Q9Y233 1/20 0.42
CASP1 P29466 3/20 0.40
TSHR P16473 3/20 0.38
CYP3A4 P08684 2/20 0.38
MAPT P10636 6/20 0.37
KDM4E B2RXH2 3/20 0.37
KMT2A Q03164 3/20 0.37
GAA P10253 3/20 0.37
MEN1 O00255 2/20 0.37
THRB P10828 2/20 0.37
MAPK1 P28482 2/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
ALOX15 P16050 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
USP2 O75604 1/20 0.35
PLA2G7 Q13093 1/20 0.34
NR4A1 P22736 1/20 0.34
PTK2B Q14289 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
SCHEMBL30648763 1.00 ALDH1A1 (0.46) ALDH1A1PDE10ACASP1TSHRCYP3A4
SCHEMBL14037472 0.84 ALDH1A1 (0.46) ALDH1A1PDE10ACASP1TSHRCYP3A4
SCHEMBL15650230 0.81 ALDH1A1 (0.43) ALDH1A1PDE10ACASP1TSHRCYP3A4
SCHEMBL4518498 0.80 ALDH1A1 (0.46) ALDH1A1PDE10ACASP1TSHRCYP3A4
SCHEMBL1822997 0.79 PYCR1 (0.44) ALDH1A1CASP1TSHRMAPTKDM4E
SCHEMBL272096 0.76 ALDH1A1 (0.56) ALDH1A1PDE10ACASP1TSHRCYP3A4
SCHEMBL865950 0.76 ALDH1A1 (0.56) ALDH1A1PDE10ACASP1TSHRCYP3A4
SCHEMBL29673045 0.76 ALDH1A1 (0.56) ALDH1A1PDE10ACASP1TSHRCYP3A4
SCHEMBL1096617 0.76 CYP2A6 (0.49) CYP3A4MAPTKDM4EKMT2AMEN1
SCHEMBL5652577 0.76 ALDH1A1 (0.47) ALDH1A1TSHRCYP3A4MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12264169-B2 Heteroaryl inhibitors of PDE4 Tetra Discovery Partners (US) 2025-04-01 US disclosed
EP-4522618-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES COMPOUNDS AS HPK1 INHIBITORS Merck Patent GmbH (DE) 2025-03-19 EP disclosed
US-20240025922-A1 TETRAHYDROPYRIDO[3,4-d]PYRIMIDINES AS HPK1 INHIBITORS MERCK HEALTHCARE KGAA (DE) 2024-01-25 US disclosed
US-20240025922-A1 TETRAHYDROPYRIDO[3,4-d]PYRIMIDINES AS HPK1 INHIBITORS MERCK HEALTHCARE KGAA (DE) 2024-01-25 US disclosed
US-20240025922-A1 TETRAHYDROPYRIDO[3,4-d]PYRIMIDINES AS HPK1 INHIBITORS MERCK HEALTHCARE KGAA (DE) 2024-01-25 US disclosed
WO-2023220541-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES COMPOUNDS AS HPK1 INHIBITORS MERCK PATENT GMBH (DE) 2023-11-16 WO disclosed
WO-2023220541-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES COMPOUNDS AS HPK1 INHIBITORS MERCK PATENT GMBH (DE) 2023-11-16 WO disclosed
US-20230348501-A1 HETEROARYL INHIBITORS OF PDE4 Tetra Discovery Partners, LLC 2023-11-02 US disclosed
US-11767334-B2 Heteroaryl inhibitors of PDE4 Tetra Discovery Partners, LLC (US) 2023-09-26 US disclosed
US-20230024240-A1 HETEROARYL INHIBITORS OF PDE4 Tetra Discovery Partners, LLC 2023-01-26 US disclosed
EP-2912019-A1 HETEROARYL INHIBITORS OF PDE4 Tetra Discovery Partners LLC (US) 2015-09-02 EP disclosed
CN-104768932-A Heteroaryl inhibitors of PDE4 TETRA DISCOVERY PARTNERS LLC 2015-07-08 CN disclosed
US-20150119362-A1 HETEROARYL INHIBITORS OF PDE4 Tetra Discovery Partners, LLC 2015-04-30 US disclosed
WO-2014066659-A9 HETEROARYL INHIBITORS OF PDE4 TETRA DISCOVERY PARTNERS, LLC. (US) 2015-02-12 WO disclosed
WO-2014066659-A1 HETEROARYL INHIBITORS OF PDE4 TETRA DISCOVERY PARTNERS, LLC. (US) 2014-05-01 WO disclosed
CN-101331133-A Sulphonamidoaniline derivatives as Janus kinase inhibitors NOVARTIS AG (CH) 2008-12-24 CN disclosed
US-20070213355-A1 1H-Imidazo[4,5-C]Quinoline Derivatives in the Treatment of Protein Kinase Dependent Diseases CAPRARO HANS-GEORG 2007-09-13 US disclosed
CN-1882586-A 1H-imidazo[4,5-C]quinoline derivatives in the treatment of protein kinase dependent diseases NOVARTIS AG (CH) 2006-12-20 CN disclosed
EP-1689747-A1 1H-IMIDAZO [4,5-C] QUINOLINE DERIVATIVES IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES Novartis AG (CH) 2006-08-16 EP disclosed
WO-2005054238-A1 1H-IMIDAZO[4,5-C]QUINOLINE DERIVATIVES IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES NOVARTIS AG (CH) 2005-06-16 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 (7 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-20230024240-A1 HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C ALDH1A1 1152/4885PDE10A 16/4885CASP1 1116/4885
US-20150119362-A1 HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C ALDH1A1 751/4885PDE10A 19/4885CASP1 3649/4885
US-20230348501-A1 HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C ALDH1A1 1152/4885PDE10A 16/4885CASP1 1116/4885
US-20070213355-A1 1H-Imidazo[4,5-C]Quinoline Derivatives in the Treatment of Protein Kinase Dependent Diseases ABL1, PRKCA, PRKCQ ALDH1A1 2948/4885PDE10A 1164/4885CASP1 2883/4885
US-11767334-B2 Heteroaryl inhibitors of PDE4 PDE4A, PDE4B, PDE4C ALDH1A1 1152/4885PDE10A 16/4885CASP1 1116/4885
US-20240025922-A1 TETRAHYDROPYRIDO[3,4-d]PYRIMIDINES AS HPK1 INHIBITORS PDXK, DTYMK, HIPK1 ALDH1A1 3576/4885PDE10A 3504/4885CASP1 832/4885
US-12264169-B2 Heteroaryl inhibitors of PDE4 PDE4A, PDE4B, PDE4C ALDH1A1 1152/4885PDE10A 16/4885CASP1 1116/4885

“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.