SCHEMBL17838705

SCHEMBL17838705

O=C(N1CCOCC1)N1CCN(c2cc[c]cc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 17/20 0.71
CYP2C9 P11712 1/20 0.71
CYP2C19 P33261 1/20 0.71
LMNA P02545 1/20 0.60
GAA P10253 1/20 0.60
MAPT P10636 1/20 0.60
ALDH1A1 P00352 1/20 0.55

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
SCHEMBL17838736 0.86 AKR1C3 (0.63) AKR1C3CYP2C9CYP2C19LMNAMAPT
SCHEMBL17838641 0.85 AKR1C3 (0.66) AKR1C3CYP2C9CYP2C19LMNAMAPT
SCHEMBL4989535 0.80 AKR1C3 (0.71) AKR1C3CYP2C9CYP2C19LMNAGAA
SCHEMBL12082116 0.80 AKR1C3 (1.00) AKR1C3CYP2C9CYP2C19LMNAGAA
SCHEMBL45747 0.80 LMNA (0.58) LMNAMAPTALDH1A1
SCHEMBL7678698 0.79 ALDH1A1 (0.49) AKR1C3CYP2C9CYP2C19LMNAGAA
SCHEMBL4989529 0.78 AKR1C3 (0.68) AKR1C3CYP2C9CYP2C19LMNAGAA
SCHEMBL188211 0.77 GFER (0.64) CYP2C9CYP2C19LMNAGAAMAPT
SCHEMBL14923983 0.76 AKR1C3 (0.70) AKR1C3CYP2C9CYP2C19LMNAGAA
SCHEMBL12276235 0.75 AKR1C3 (0.84) AKR1C3CYP2C9CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3237407-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS Axikin Pharmaceuticals, Inc. (US) 2017-11-01 EP claimed
US-9730914-B2 3,5-diaminopyrazole kinase inhibitors Axikin Pharmaceuticals (US) 2017-08-15 US claimed
US-20170087131-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. 2017-03-30 US claimed
US-9546163-B2 3,5-diaminopyrazole kinase inhibitors AXIKIN PHARMACEUTICALS, INC. (US) 2017-01-17 US claimed
WO-2016106309-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. (US) 2016-06-30 WO claimed
US-20160176857-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. 2016-06-23 US claimed
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 AKR1C3 2082/4885CYP2C9 4419/4885CYP2C19 3928/4885
US-20160176857-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS MAP3K13, MAP3K3, PRKAG3 AKR1C3 2082/4885CYP2C9 4419/4885CYP2C19 3928/4885

“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.