SCHEMBL16035315

SCHEMBL16035315

O=[N+]([O-])c1ccc(Br)cc1NCC1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 1/20 0.45
▸ MAPT P10636 10/20 0.44
▸ ALDH1A1 P00352 6/20 0.44
▸ MAPK1 P28482 3/20 0.44
▸ HTT P42858 2/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ ALOX12 P18054 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ IDO1 P14902 1/20 0.40
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ HCAR3 P49019 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ CYP2C9 P11712 1/20 0.38

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
SCHEMBL16972859 0.92 PTGER4 (0.52) PTGER4MAPTALDH1A1MAPK1HTT
SCHEMBL4000902 0.90 MAPT (0.48) PTGER4MAPTALDH1A1MAPK1HTT
SCHEMBL1528590 0.88 MAPT (0.47) PTGER4MAPTALDH1A1MAPK1HTT
SCHEMBL29392033 0.84 MAPT (0.55) MAPTALDH1A1MAPK1HTTCYP1A2
SCHEMBL22527782 0.84 MAPT (0.55) MAPTALDH1A1MAPK1HTTCYP1A2
SCHEMBL18075253 0.84 MAPT (0.45) PTGER4MAPTALDH1A1MAPK1HTT
SCHEMBL19858206 0.82 MAPT (0.46) PTGER4MAPTALDH1A1MAPK1HTT
SCHEMBL16042619 0.82 PTGER4 (0.41) PTGER4MAPTALDH1A1MAPK1HTT
SCHEMBL16042621 0.82 PTGER4 (0.41) PTGER4MAPTALDH1A1MAPK1HTT
SCHEMBL21590188 0.81 MAPT (0.64) MAPTALDH1A1MAPK1HTTCYP1A2

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 8 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-2970268-A1 CDK9 KINASE INHIBITORS AbbVie Inc. (US) 2016-01-20 — — EP disclosed
EP-2970200-A1 PYRIDINE CDK9 KINASE INHIBITORS Abbvie Inc. (US) 2016-01-20 — — EP disclosed
US-8969375-B2 CDK9 kinase inhibitors ABBVIE, INC. (US) 2015-03-03 — — US disclosed
WO-2014160017-A1 PYRIDINE CDK9 KINASE INHIBITORS ABBVIE INC. (US) 2014-10-02 — — WO disclosed
WO-2014159999-A1 CDK9 KINASE INHIBITORS ABBVIE INC. (US) 2014-10-02 — — WO disclosed
US-20140275153-A1 CDK9 KINASE INHIBITORS ABBIVE INC. 2014-09-18 — — US 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 (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-20140275011-A1 PYRIDINE CDK9 KINASE INHIBITORS CDK9, CDK19, CDK6 PTGER4 1994/4885MAPT 2993/4885ALDH1A1 3595/4885
US-20140275153-A1 CDK9 KINASE INHIBITORS CDK9, CDK19, CDK10 PTGER4 2834/4885MAPT 2769/4885ALDH1A1 3063/4885

“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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