SCHEMBL1468679

SCHEMBL1468679

NC1CCN(c2c(Br)cnc3[nH]cc(NC(=O)c4cccnc4)c23)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 10/20 0.44
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
CDC42BPB Q9Y5S2 1/20 0.42
PIM2 Q9P1W9 2/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC1 Q13547 3/20 0.41
PIM1 P11309 2/20 0.41
GAK O14976 1/20 0.41
STK16 O75716 1/20 0.41
AXL P30530 1/20 0.41
NEK2 P51955 1/20 0.41
STK3 Q13188 1/20 0.41
STK11 Q15831 1/20 0.41
BMP2K Q9NSY1 1/20 0.41
TNIK Q9UKE5 1/20 0.41

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
SCHEMBL1468677 1.00 AAK1 (0.44) AAK1ROCK2ROCK1CDC42BPBPIM2
Hydrochloric Acid SCHEMBL1468581 0.99 AAK1 (0.44) AAK1ROCK2ROCK1CDC42BPBPIM2
Hydrochloric Acid SCHEMBL1468584 0.99 AAK1 (0.44) AAK1ROCK2ROCK1CDC42BPBPIM2
SCHEMBL29599640 0.95 PIM2 (0.47) AAK1ROCK2ROCK1CDC42BPBPIM2
SCHEMBL1470547 0.95 PIM2 (0.47) AAK1ROCK2ROCK1CDC42BPBPIM2
SCHEMBL1468800 0.95 PIM2 (0.47) AAK1ROCK2ROCK1CDC42BPBPIM2
SCHEMBL1468799 0.95 PIM2 (0.47) AAK1ROCK2ROCK1CDC42BPBPIM2
Hydrochloric Acid SCHEMBL1468476 0.94 PIM2 (0.46) AAK1ROCK2ROCK1CDC42BPBPIM2
SCHEMBL21468691 0.94 HDAC1 (0.45) AAK1ROCK2ROCK1CDC42BPBPIM2
Hydrochloric Acid SCHEMBL1468479 0.94 PIM2 (0.46) AAK1ROCK2ROCK1CDC42BPBPIM2

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 AAK1 438/4885ROCK2 1602/4885ROCK1 1293/4885
US-20140100369-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS CHEK2, CHEK1, CDKN1A AAK1 438/4885ROCK2 1602/4885ROCK1 1293/4885
US-20110070317-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS CHEK2, CHEK1, BUB1B AAK1 453/4885ROCK2 1355/4885ROCK1 1141/4885
US-20150322061-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS CHEK2, CHEK1, CDKN1A AAK1 438/4885ROCK2 1602/4885ROCK1 1293/4885
US-20130045286-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS CHEK2, CHEK1, CDKN1A AAK1 438/4885ROCK2 1602/4885ROCK1 1293/4885

“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.