SCHEMBL12501838

SCHEMBL12501838

Clc1ccc(NCC2CCCOC2)nc1Br

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 14/20 0.49
▸ CDK9 P50750 4/20 0.49
▸ DRD4 P21917 1/20 0.40
▸ IRAK1 P51617 1/20 0.38
▸ SCN5A Q14524 2/20 0.37
▸ SCN9A Q15858 1/20 0.37
▸ CLK1 P49759 1/20 0.36
▸ CLK2 P49760 1/20 0.36
▸ CLK3 P49761 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ CLK4 Q9HAZ1 1/20 0.36
▸ DYRK1B Q9Y463 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36

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
SCHEMBL1191758 0.84 CCNT1 (0.49) CCNT1CDK9
SCHEMBL31019167 0.75 USP30 (0.52) CCNT1CDK9IRAK1CLK1CLK2
SCHEMBL12850511 0.75 CCNT1 (0.59) CCNT1CDK9
SCHEMBL1462643 0.74 CCNT1 (0.50) CCNT1CDK9KDM4E
SCHEMBL1461912 0.74 CCNT1 (0.44) CCNT1CDK9
SCHEMBL12501667 0.74 CCNT1 (0.44) CCNT1CDK9DRD4IRAK1SCN5A
SCHEMBL10994631 0.73 CCNT1 (0.49) CCNT1CDK9DRD4SCN5ASCN9A
SCHEMBL19923086 0.68 TRPC5 (0.36) CCNT1CDK9IRAK1CLK1CLK2
SCHEMBL27303915 0.68 EGLN2 (0.46) CCNT1CDK9CLK1CLK2CLK3
SCHEMBL1192484 0.67 PSEN1 (0.35) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9796708-B2 Pyrrolo [2,3-B] pyridine CDK9 kinase inhibitors ABBVIE INC. (US) 2017-10-24 — — US disclosed
US-20160060257-A1 PYRROLO [2,3-B] PYRIDINE CDK9 KINASE INHIBITORS ABBVIE INC. (US) 2016-03-03 — — US disclosed
EP-2970278-A1 PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS AbbVie Inc. (US) 2016-01-20 — — EP disclosed
EP-2970264-A1 PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS AbbVie Inc. (US) 2016-01-20 — — EP disclosed
US-9073922-B2 Pyrrolo[2,3-B]pyridine CDK9 kinase inhibitors ABBVIE, INC. (US) 2015-07-07 — — US disclosed
WO-2014151444-A1 PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS ABBVIE INC. (US) 2014-09-25 — — WO disclosed
US-20140275027-A1 PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS ABBVIE INC. 2014-09-18 — — US disclosed
WO-2014139328-A1 PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS ABBVIE INC. (US) 2014-09-18 — — WO disclosed
WO-2012101064-A1 N-ACYL PYRIMIDINE BIARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2012-08-02 — — 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 (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-20160060257-A1 PYRROLO [2,3-B] PYRIDINE CDK9 KINASE INHIBITORS CDK9, CDK19, CDK3 CCNT1 36/4885CDK9 1/4885DRD4 1725/4885
US-20140275027-A1 PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS CDK9, CDK19, CDK3 CCNT1 36/4885CDK9 1/4885DRD4 2704/4885

“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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