SCHEMBL1469042

SCHEMBL1469042

O=C(Nc1c[nH]c2ncc(Br)c(F)c12)c1ccc(C(F)(F)F)cn1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 3/20 0.43
KMT2A Q03164 1/20 0.43
BACE1 P56817 6/20 0.41
AAK1 Q2M2I8 1/20 0.40
PTGS1 P23219 1/20 0.37
PPARD Q03181 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
KDR P35968 1/20 0.35

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
SCHEMBL1469049 0.86 BRD4 (0.40) KMT2ABACE1
SCHEMBL1468908 0.81 NPC1 (0.48)
SCHEMBL1468839 0.81 KCNQ3 (0.50) KMT2AAAK1PTGS1
SCHEMBL1468855 0.81 AAK1 (0.47) KMT2ABACE1AAK1
SCHEMBL1468035 0.81 HDAC1 (0.45) KMT2AAAK1KDR
SCHEMBL1467791 0.81 NPC1 (0.51) KMT2ABACE1
SCHEMBL1468837 0.80 NPC1 (0.50) KMT2A
SCHEMBL1469068 0.78 TSHR (0.43) KMT2A
SCHEMBL1468416 0.78 NPC1 (0.52) KMT2ABACE1
SCHEMBL1468895 0.78 SMN1; SMN2 (0.49)

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 17 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
CN-102089307-A Pyrrolopyridines as kinase inhibitors ARRAY BIOPHARMA INC 2011-06-08 CN 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 LIPE 4729/4885KMT2A 2650/4885BACE1 3796/4885
US-20160368916-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS CHEK2, CHEK1, CDKN1A LIPE 4729/4885KMT2A 2650/4885BACE1 3796/4885
US-20140100369-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS CHEK2, CHEK1, CDKN1A LIPE 4729/4885KMT2A 2650/4885BACE1 3796/4885
US-20110070317-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS CHEK2, CHEK1, BUB1B LIPE 4727/4885KMT2A 2694/4885BACE1 3670/4885
US-20150322061-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS CHEK2, CHEK1, CDKN1A LIPE 4729/4885KMT2A 2650/4885BACE1 3796/4885
US-20130045286-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS CHEK2, CHEK1, CDKN1A LIPE 4729/4885KMT2A 2650/4885BACE1 3796/4885

“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.