SCHEMBL1469684

SCHEMBL1469684

CCc1cnc2[nH]cc(NC(=O)C3CC3)c2c1N1CCCC(N)C1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.41
LIMK2 P53671 3/20 0.40
ROCK2 O75116 4/20 0.39
ROCK1 Q13464 4/20 0.39
CDC42BPB Q9Y5S2 4/20 0.39
THRB P10828 1/20 0.39
CDC42BPA Q5VT25 1/20 0.39
DPP4 P27487 1/20 0.38
PIM2 Q9P1W9 2/20 0.37
JAK3 P52333 1/20 0.37
DYRK1B Q9Y463 1/20 0.37

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
SCHEMBL1469681 1.00 AKT1 (0.41) AKT1LIMK2ROCK2ROCK1CDC42BPB
Hydrochloric Acid SCHEMBL1469429 0.99 AKT1 (0.41) AKT1LIMK2ROCK2ROCK1CDC42BPB
Hydrochloric Acid SCHEMBL1469425 0.99 AKT1 (0.41) AKT1LIMK2ROCK2ROCK1CDC42BPB
SCHEMBL1468725 0.89 LIMK2 (0.45) AKT1LIMK2ROCK2ROCK1CDC42BPB
SCHEMBL1468728 0.89 LIMK2 (0.45) AKT1LIMK2ROCK2ROCK1CDC42BPB
SCHEMBL1469358 0.88 MAPK1 (0.42) AKT1LIMK2ROCK2ROCK1CDC42BPB
Alcohol SCHEMBL18037066 0.88 AKT1 (0.40) AKT1LIMK2ROCK2ROCK1CDC42BPB
SCHEMBL1469360 0.88 MAPK1 (0.42) AKT1LIMK2ROCK2ROCK1CDC42BPB
Hydrochloric Acid SCHEMBL1469176 0.88 LIMK2 (0.44) AKT1LIMK2ROCK2ROCK1CDC42BPB
Hydrochloric Acid SCHEMBL1469172 0.88 LIMK2 (0.44) AKT1LIMK2ROCK2ROCK1CDC42BPB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9969727-B2 Pyrrolopyridines as kinase inhibitors ARRAY BIOPHARMA INC. (US) 2018-05-15 US disclosed
US-20160368916-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-12-22 US disclosed
US-9365568-B2 Pyrrolopyridines as kinase inhibitors ARRAY BIOPHARMA INC. (US) 2016-06-14 US disclosed
EP-2990407-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS Array Biopharma, Inc. (US) 2016-03-02 EP disclosed
US-20150322061-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2015-11-12 US disclosed
EP-2307409-B1 PYRROLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2015-08-12 EP disclosed
US-8758830-B2 Pyrrolopyridines as kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-06-24 US disclosed
US-20140100369-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2014-04-10 US disclosed
US-8545897-B2 Pyrrolopyridines as kinase inhibitors ARRAY BIOPHARMA INC. (US) 2013-10-01 US disclosed
US-20130045286-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2013-02-21 US disclosed
US-8178131-B2 Pyrrolopyridines as kinase inhibitors ARRAY BIOPHARMA INC. (US) 2012-05-15 US disclosed
US-20110070317-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-03-24 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 (5 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-20160368916-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS CHEK2, CHEK1, CDKN1A AKT1 669/4885LIMK2 760/4885ROCK2 1602/4885
US-20140100369-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS CHEK2, CHEK1, CDKN1A AKT1 669/4885LIMK2 760/4885ROCK2 1602/4885
US-20110070317-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS CHEK2, CHEK1, BUB1B AKT1 537/4885LIMK2 711/4885ROCK2 1355/4885
US-20150322061-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS CHEK2, CHEK1, CDKN1A AKT1 669/4885LIMK2 760/4885ROCK2 1602/4885
US-20130045286-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS CHEK2, CHEK1, CDKN1A AKT1 669/4885LIMK2 760/4885ROCK2 1602/4885

“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.