SCHEMBL3724719

SCHEMBL3724719

Fc1ccc(-c2cnc3[nH]ccc3c2N2CCNCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 3/20 0.56
HTR2C P28335 1/20 0.49
CCNC P24863 10/20 0.47
CDK8 P49336 10/20 0.47
CDK19 Q9BWU1 10/20 0.47
HTR7 P34969 2/20 0.47
ROCK2 O75116 2/20 0.46
HTR1A P08908 1/20 0.44
HTR2B P41595 1/20 0.44
HTR6 P50406 1/20 0.44
ROCK1 Q13464 1/20 0.43
HRH4 Q9H3N8 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
ACVR1 Q04771 1/20 0.42

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
Hydrochloric Acid SCHEMBL3718468 0.87 HTR2C (0.49) RPS6KA3HTR2CCCNCCDK8CDK19
SCHEMBL3721532 0.85 HTR2C (0.48) RPS6KA3HTR2CCCNCCDK8CDK19
SCHEMBL3724774 0.82 HTR2C (0.47) RPS6KA3HTR2CCCNCCDK8CDK19
SCHEMBL3724527 0.82 RPS6KA3 (0.53) RPS6KA3CCNCCDK8CDK19
SCHEMBL27800359 0.77 HTR7 (0.53) HTR2CHTR7ROCK2HTR2BHTR6
SCHEMBL3723942 0.77 ACVR1 (0.52) HTR2CCCNCCDK8CDK19HTR7
SCHEMBL3721308 0.77 HTR2C (0.55) HTR2CROCK2HTR6ROCK1HRH4
SCHEMBL3720963 0.76 JAK1 (0.55) RPS6KA3
Hydrochloric Acid SCHEMBL3726557 0.76 HTR2C (0.54) HTR2CROCK2HTR6ROCK1HRH4
SCHEMBL3722854 0.75 HTR2C (0.44) RPS6KA3HTR2CCCNCCDK8CDK19

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-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
CN-101959887-B Pyrrolopyridines as kinase inhibitors ARRAY BIOPHARMA INC 2013-07-31 CN disclosed
EP-2242755-B1 PYRROLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2012-09-12 EP disclosed
CN-101959887-A Pyrrolopyridine as kinase inhibitor ARRAY BIOPHARMA INC 2011-01-26 CN 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 RPS6KA3 450/4885HTR2C 4467/4885CCNC 246/4885
US-20100324041-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS CHEK2, CHEK1, BUB1B RPS6KA3 455/4885HTR2C 4438/4885CCNC 263/4885

“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.