SCHEMBL16042485

SCHEMBL16042485

Nc1cc(Cl)c(Br)cc1NCC1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 3/20 0.46
▸ SCN5A Q14524 1/20 0.37
▸ KCNH3 Q9ULD8 1/20 0.36
▸ CDK9 P50750 6/20 0.36
▸ CCNK O75909 4/20 0.36
▸ CCNT1 O60563 7/20 0.36
▸ CHRM2 P08172 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ CHEK1 O14757 1/20 0.33

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
SCHEMBL16041621 0.79 PTGER4 (0.49) PTGER4SCN5A
SCHEMBL3997126 0.77 AAK1 (0.46) PTGER4KCNH3CHEK1
SCHEMBL16035266 0.77 PTGER4 (0.41) PTGER4KCNH3
SCHEMBL2578339 0.77 PTGER4 (0.44) PTGER4KCNH3
SCHEMBL19762006 0.77 CDK9 (0.36) PTGER4SCN5AKCNH3CDK9CCNK
SCHEMBL26774940 0.75 CDK9 (0.41) PTGER4SCN5AKCNH3CDK9CCNK
SCHEMBL29492736 0.75 CDK9 (0.41) PTGER4SCN5AKCNH3CDK9CCNK
SCHEMBL15749040 0.75 CHEK1 (0.40) PTGER4SCN5AKCNH3CDK9CCNK
SCHEMBL1565434 0.74 KCNH3 (0.41) PTGER4KCNH3CDK9CCNKCCNT1
SCHEMBL23759728 0.72 POLB (0.44) PTGER4KCNH3CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9650358-B2 Pyridine CDK9 kinase inhibitors ABBVIE INC. (US) 2017-05-16 — — US disclosed
EP-2970200-A1 PYRIDINE CDK9 KINASE INHIBITORS Abbvie Inc. (US) 2016-01-20 — — EP disclosed
WO-2014160017-A1 PYRIDINE CDK9 KINASE INHIBITORS ABBVIE INC. (US) 2014-10-02 — — WO disclosed
US-20140275011-A1 PYRIDINE CDK9 KINASE INHIBITORS ABBVIE INC. (US) 2014-09-18 — — 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-20140275011-A1 PYRIDINE CDK9 KINASE INHIBITORS CDK9, CDK19, CDK6 PTGER4 1994/4885SCN5A 3455/4885KCNH3 1356/4885

“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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