SCHEMBL9984775

SCHEMBL9984775

N#Cc1ccc(-c2cnn[nH]2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNB2 O95067 1/20 0.42
▸ CDK1 P06493 1/20 0.42
▸ CCNB1 P14635 1/20 0.42
▸ GSK3A P49840 1/20 0.42
▸ GSK3B P49841 1/20 0.42
▸ CDK5 Q00535 1/20 0.42
▸ CDK5R1 Q15078 1/20 0.42
▸ CCNB3 Q8WWL7 1/20 0.42
▸ NPY5R Q15761 1/20 0.42
▸ CYP11B2 P19099 3/20 0.42
▸ NOTUM Q6P988 2/20 0.42
▸ MMP3 P08254 1/20 0.41
▸ GABRA1 P14867 1/20 0.39
▸ GABRG2 P18507 1/20 0.39
▸ GABRB3 P28472 1/20 0.39
▸ GABRA5 P31644 1/20 0.39
▸ GABRA3 P34903 1/20 0.39
▸ SCN10A Q9Y5Y9 1/20 0.38
▸ RIPK1 Q13546 1/20 0.38
▸ KIF11 P52732 2/20 0.37

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
SCHEMBL13411815 0.83 POLB (0.33) ALDH1A1
SCHEMBL16437047 0.82 PDE3B (0.42) CYP11B2GABRG2GABRB3GABRA5GABRA3
SCHEMBL18752751 0.74 CYP11B2 (0.55) CYP11B2
SCHEMBL5020203 0.74 POLB (0.48) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL5020178 0.74 ASIC3 (0.48) CDK1RIPK1ALDH1A1
SCHEMBL5020183 0.74 MEN1 (0.46) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL5020208 0.74 METAP2 (0.39) TNIK
SCHEMBL17283676 0.74 SCN4A (0.43) GSK3BCDK5CDK5R1NPY5RGABRA1
SCHEMBL2054696 0.73 MAOB (0.47) CYP11B2NOTUMALDH1A1CYP2A6CA12
SCHEMBL13860056 0.73 PGR (0.41) CYP11B2NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9918964-B2 Reducing platelet activation, aggregation and platelet-stimulated thrombosis or blood coagulation by reducing mitochondrial respiration THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2018-03-20 — — US disclosed
US-9918964-B2 Reducing platelet activation, aggregation and platelet-stimulated thrombosis or blood coagulation by reducing mitochondrial respiration THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2018-03-20 — — US disclosed
US-9918964-B2 Reducing platelet activation, aggregation and platelet-stimulated thrombosis or blood coagulation by reducing mitochondrial respiration THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2018-03-20 — — US disclosed
US-20110301180-A1 Reducing Platelet Activation, Aggregation and Platelet-Stimulated Thrombosis or Blood Coagulation by Reducing Mitochondrial Respiration STANFORD UNIVERSITY (US) 2011-12-08 — — US disclosed
US-20110301180-A1 Reducing Platelet Activation, Aggregation and Platelet-Stimulated Thrombosis or Blood Coagulation by Reducing Mitochondrial Respiration STANFORD UNIVERSITY (US) 2011-12-08 — — US disclosed
US-20110301180-A1 Reducing Platelet Activation, Aggregation and Platelet-Stimulated Thrombosis or Blood Coagulation by Reducing Mitochondrial Respiration STANFORD UNIVERSITY (US) 2011-12-08 — — 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 (1 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-20110301180-A1 Reducing Platelet Activation, Aggregation and Platelet-Stimulated Thrombosis or Blood Coagulation by Reducing Mitochondrial Respiration PC, PFKP, UQCRC1 CCNB2 4573/4885CDK1 2626/4885CCNB1 4493/4885

“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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