SCHEMBL3723401

SCHEMBL3723401

Nc1c[nH]c2nccc(N3CCN(Cc4ccccc4)CC3)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
DRD4 P21917 6/20 0.48
DRD2 P14416 4/20 0.48
DRD3 P35462 4/20 0.48
GAA P10253 1/20 0.46
ROCK2 O75116 3/20 0.46
ROCK1 Q13464 3/20 0.46
CDC42BPB Q9Y5S2 3/20 0.46
HTR1A P08908 2/20 0.44
HTR2A P28223 1/20 0.44
HTR7 P34969 1/20 0.44
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
HTR2C P28335 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44

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
SCHEMBL3722723 0.83 ALDH1A1 (0.47) ALKCA12CA1CA2CA9
SCHEMBL4476828 0.80 CA12 (0.52) ALKCA12CA1CA2CA9
SCHEMBL3717638 0.79 ALK (0.47) ALKCA12CA1CA2CA9
SCHEMBL3725000 0.77 BCHE (0.48) ALKALDH1A1
SCHEMBL2800151 0.77 DRD2 (0.63) ALKCA12CA1CA2CA9
SCHEMBL3721139 0.76 ALDH1A1 (0.43) ALKCA12CA1CA2CA9
SCHEMBL3722051 0.75 MAPT (0.60) ALDH1A1
SCHEMBL4519472 0.72 DRD4 (0.62) DRD4DRD2DRD3GAA
SCHEMBL7401253 0.70 KCNH2 (0.64) DRD4ALDH1A1
SCHEMBL4658143 0.70 CDK8 (0.70) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8841304-B2 Pyrrolopyridines as kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-09-23 US disclosed
US-20140221370-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2014-08-07 US disclosed
EP-2242755-B1 PYRROLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2012-09-12 EP disclosed
US-20100324041-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-12-23 US disclosed
EP-2242755-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS Array Biopharma, Inc. (US) 2010-10-27 EP disclosed
WO-2009089352-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-07-16 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-20140221370-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS CHEK2, CHEK1, BUB1B ALK 3386/4885CA12 4629/4885CA1 2791/4885
US-20100324041-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS CHEK2, CHEK1, BUB1B ALK 3242/4885CA12 4670/4885CA1 2903/4885

“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.