SCHEMBL17838641

SCHEMBL17838641

O=C(N1CCCCC1)N1CCN(c2cc[c]cc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 13/20 0.66
ALDH1A1 P00352 6/20 0.66
LMNA P02545 2/20 0.66
HPGD P15428 1/20 0.66
HTT P42858 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
MAPT P10636 1/20 0.51
GFER P55789 1/20 0.51
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
USP2 O75604 1/20 0.47

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 0.98 AKR1C3 (0.63) AKR1C3ALDH1A1LMNAHPGDHTT
SCHEMBL17838705 0.85 AKR1C3 (0.71) AKR1C3ALDH1A1LMNAMAPTCYP2C9
SCHEMBL11193055 0.82 AKR1C3 (0.73) AKR1C3ALDH1A1LMNAHPGDHTT
Hydrochloric Acid SCHEMBL11191671 0.81 AKR1C3 (0.71) AKR1C3ALDH1A1LMNAHPGDHTT
SCHEMBL7678698 0.80 ALDH1A1 (0.49) AKR1C3ALDH1A1LMNAMAPTGFER
SCHEMBL2507401 0.80 GFER (0.57) AKR1C3ALDH1A1LMNAHPGDHTT
SCHEMBL27471218 0.79 ALDH1A1 (0.66) AKR1C3ALDH1A1LMNAHPGDHTT
SCHEMBL15271347 0.79 ALDH1A1 (0.71) AKR1C3ALDH1A1LMNAHPGDHTT
SCHEMBL146936 0.79 ALDH1A1 (0.52) ALDH1A1LMNAHPGDHTTSMN1; SMN2
SCHEMBL1900341 0.79 ALDH1A1 (0.52) ALDH1A1LMNAHPGDHTTSMN1; SMN2

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 13 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-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 2082/4885ALDH1A1 2717/4885LMNA 2416/4885
US-20160176857-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS MAP3K13, MAP3K3, PRKAG3 AKR1C3 2082/4885ALDH1A1 2717/4885LMNA 2416/4885

“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.