SCHEMBL16041507

SCHEMBL16041507

CC(Nc1cc(Br)ccc1N)c1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.51
▸ KDM4C Q9H3R0 1/20 0.39
▸ LRRK2 Q5S007 2/20 0.38
▸ SCN1A P35498 2/20 0.37
▸ SCN5A Q14524 2/20 0.37
▸ SCN8A Q9UQD0 2/20 0.37
▸ NR1I2 O75469 1/20 0.37
▸ SCN1B Q07699 1/20 0.37
▸ VNN1 O95497 1/20 0.37
▸ ADORA2B P29275 2/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ KCNA5 P22460 2/20 0.36
▸ MPO P05164 1/20 0.36
▸ CYP11B1 P15538 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ PFKFB3 Q16875 1/20 0.35

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
SCHEMBL16756435 0.83 L3MBTL1 (0.44) KDM4E
SCHEMBL14247727 0.83 L3MBTL1 (0.44) KDM4E
SCHEMBL14247790 0.83 L3MBTL1 (0.44) KDM4E
Hydrochloric Acid SCHEMBL11228436 0.83 KDM4E (0.50) KDM4EKDM4CLRRK2SCN1ASCN5A
SCHEMBL30894541 0.81 KDM4E (0.62) KDM4EKDM4CLRRK2SCN1ASCN5A
SCHEMBL16042186 0.79 ALDH1A1 (0.47) KDM4E
Hydrochloric Acid SCHEMBL11568531 0.75 KDM4E (0.50) KDM4EKDM4CLRRK2SCN1ASCN5A
SCHEMBL24450229 0.73 KDM4E (0.63) KDM4ELRRK2VNN1PFKFB3
SCHEMBL22191343 0.73 KMT2A (0.46) KDM4ECYP11B1CYP11B2
SCHEMBL8200994 0.72 HDAC1 (0.42) KDM4E

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 KDM4E 340/4885KDM4C 539/4885LRRK2 1465/4885

“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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