SCHEMBL17838684

SCHEMBL17838684

NC(=O)c1c(Nc2ccc(-n3ccnc3)cc2)n[nH]c1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.58
▸ GFER P55789 1/20 0.58
▸ MAPT P10636 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ TNIK Q9UKE5 5/20 0.46
▸ SYK P43405 1/20 0.44
▸ HTT P42858 1/20 0.43
▸ PDE3B Q13370 2/20 0.43
▸ PDE3A Q14432 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ BAZ2B Q9UIF8 1/20 0.43
▸ PDE2A O00408 1/20 0.43
▸ ENPP2 Q13822 1/20 0.41
▸ MKNK1 Q9BUB5 1/20 0.41
▸ MKNK2 Q9HBH9 1/20 0.41
▸ ADH5 P11766 1/20 0.41
▸ ROCK1 Q13464 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ PDE4A P27815 1/20 0.40
▸ PDE4B Q07343 1/20 0.40

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
SCHEMBL17838654 0.86 GAA (0.62) GAAGFERMAPTSYK
SCHEMBL15272810 0.81 GAA (0.59) GAAGFERMAPTCYP3A4PDE4A
SCHEMBL16586508 0.81 TNIK (0.48) GAAGFERMAPTLMNATNIK
SCHEMBL15272776 0.80 GAA (0.57) GAAGFERMAPTTNIKSYK
SCHEMBL15278893 0.79 TNIK (0.52) GAAGFERTNIKSYKENPP2
SCHEMBL17838759 0.79 GAA (0.56) GAAGFERSYK
SCHEMBL15272868 0.78 GAA (0.71) GAAGFERHTTMKNK1MKNK2
SCHEMBL17838739 0.77 GAA (0.59) GAAGFERMAPTSYKCYP3A4
SCHEMBL15273197 0.77 GAA (0.69) GAAGFERMKNK1MKNK2
SCHEMBL15272364 0.77 GAA (0.73) GAAGFERMAPTLMNASYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107250116-B 3, 5-diaminopyrazole kinase inhibitors 艾士盟医疗公司 2020-10-27 — — CN disclosed
EP-3237407-B1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS SMA THERAPEUTICS INC (US) 2020-04-15 — — EP disclosed
EP-3237407-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS Axikin Pharmaceuticals, Inc. (US) 2017-11-01 — — EP disclosed
US-9730914-B2 3,5-diaminopyrazole kinase inhibitors Axikin Pharmaceuticals (US) 2017-08-15 — — US disclosed
US-20170087131-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. 2017-03-30 — — US disclosed
US-9546163-B2 3,5-diaminopyrazole kinase inhibitors AXIKIN PHARMACEUTICALS, INC. (US) 2017-01-17 — — US disclosed
WO-2016106309-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. (US) 2016-06-30 — — WO disclosed
US-20160176857-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. 2016-06-23 — — 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 (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-20170087131-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS MAP3K13, MAP3K3, PRKAG3 GAA 1733/4885GFER 4502/4885MAPT 2030/4885
US-20160176857-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS MAP3K13, MAP3K3, PRKAG3 GAA 1733/4885GFER 4502/4885MAPT 2030/4885

“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.

Send feedback