SCHEMBL1468035

SCHEMBL1468035

O=C(Nc1c[nH]c2ncc(Br)c(F)c12)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.45
HDAC8 Q9BY41 3/20 0.45
HDAC6 Q9UBN7 3/20 0.45
AAK1 Q2M2I8 4/20 0.45
MDM4 O15151 1/20 0.41
TP53 P04637 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
PKM P14618 1/20 0.40
GRIK1 P39086 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
EGFR P00533 1/20 0.40
NTRK1 P04629 1/20 0.40

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
SCHEMBL1468855 0.90 AAK1 (0.47) HDAC1AAK1NPC1RAB9AMEN1
SCHEMBL1468887 0.88 KCNQ3 (0.47) HDAC1HDAC6AAK1TP53NPC1
SCHEMBL1468749 0.88 AAK1 (0.57) HDAC1AAK1KMT2AMAPTAXL
SCHEMBL1468604 0.86 KMT2A (0.49) HDAC8HDAC6AAK1TP53NPC1
SCHEMBL1468908 0.85 NPC1 (0.48) HDAC1HDAC8HDAC6NPC1RAB9A
SCHEMBL1468839 0.85 KCNQ3 (0.50) AAK1NPC1RAB9AMEN1KMT2A
SCHEMBL1468500 0.84 RAB9A (0.54) AAK1TP53NPC1RAB9AMEN1
SCHEMBL1470452 0.84 AAK1 (0.36) AAK1CDK2NPC1RAB9AMAPT
SCHEMBL1468942 0.83 HDAC1 (0.47) HDAC1HDAC6AAK1MEN1KMT2A
SCHEMBL16377622 0.82 ALDH1A1 (0.49) HDAC8RAB9AKMT2AITK

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 16 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-8981085-B2 Pyrrolopyridines as kinase inhibitors ARRAY BIOPHARMA INC. (US) 2015-03-17 US disclosed
US-20140243520-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2014-08-28 US 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
EP-2307409-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS Array Biopharma, Inc. (US) 2011-04-13 EP disclosed
US-20110070317-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-03-24 US disclosed
WO-2009140320-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-11-19 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 (6 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-20140243520-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS CHEK2, CHEK1, CDKN1A HDAC1 1334/4885HDAC8 2547/4885HDAC6 2463/4885
US-20160368916-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS CHEK2, CHEK1, CDKN1A HDAC1 1334/4885HDAC8 2547/4885HDAC6 2463/4885
US-20140100369-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS CHEK2, CHEK1, CDKN1A HDAC1 1334/4885HDAC8 2547/4885HDAC6 2463/4885
US-20110070317-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS CHEK2, CHEK1, BUB1B HDAC1 1070/4885HDAC8 2216/4885HDAC6 2133/4885
US-20150322061-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS CHEK2, CHEK1, CDKN1A HDAC1 1334/4885HDAC8 2547/4885HDAC6 2463/4885
US-20130045286-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS CHEK2, CHEK1, CDKN1A HDAC1 1334/4885HDAC8 2547/4885HDAC6 2463/4885

“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.