SCHEMBL16096743

SCHEMBL16096743

CN1CCCN(Cc2ccc(-c3ccc(N4CCN(C)CC4)cc3)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHKA P35790 14/20 1.00
NCF1 P14598 2/20 0.63
CA2 P00918 1/20 0.63
PRMT6 Q96LA8 1/20 0.63
KDM4E B2RXH2 1/20 0.57
HRH4 Q9H3N8 1/20 0.54
HRH3 Q9Y5N1 1/20 0.54
LSS P48449 1/20 0.54

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
SCHEMBL16121577 0.91 CHKA (1.00) CHKANCF1CA2PRMT6KDM4E
SCHEMBL16121999 0.87 CHKA (0.77) CHKANCF1CA2PRMT6KDM4E
SCHEMBL16095017 0.85 CHKA (0.74) CHKANCF1CA2PRMT6KDM4E
SCHEMBL17465321 0.84 CHKA (0.87) CHKANCF1CA2PRMT6KDM4E
SCHEMBL17465323 0.84 CHKA (1.00) CHKANCF1CA2PRMT6KDM4E
SCHEMBL17465327 0.84 CHKA (0.87) CHKANCF1CA2PRMT6KDM4E
SCHEMBL16121802 0.84 CHKA (0.72) CHKANCF1CA2PRMT6KDM4E
SCHEMBL16102439 0.84 CHKA (0.71) CHKANCF1CA2PRMT6KDM4E
SCHEMBL16121669 0.83 CHKA (0.84) CHKANCF1CA2PRMT6KDM4E
SCHEMBL16121666 0.82 CHKA (0.82) CHKANCF1CA2PRMT6KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9834521-B2 Choline kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2017-12-05 US disclosed
US-9834521-B2 Choline kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2017-12-05 US disclosed
US-20160024024-A1 Novel Choline Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. 2016-01-28 US disclosed
US-20160024024-A1 Novel Choline Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. 2016-01-28 US disclosed
EP-2968358-A1 NOVEL CHOLINE KINASE INHIBITORS ARIAD Pharmaceuticals, Inc. (US) 2016-01-20 EP disclosed
WO-2014151761-A1 NOVEL CHOLINE KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2014-09-25 WO disclosed
WO-2014151761-A1 NOVEL CHOLINE KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2014-09-25 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 (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-20160024024-A1 Novel Choline Kinase Inhibitors CHKA, CHKB, CEPT1 CHKA 1/4885NCF1 1251/4885CA2 1344/4885

“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.