SCHEMBL1470449

SCHEMBL1470449

C[C@@H]1CCNC[C@H]1N(Cc1ccccc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.56
SLC6A2 P23975 15/20 0.46
SLC6A4 P31645 15/20 0.46
KCNH2 Q12809 3/20 0.46
SLC6A3 Q01959 9/20 0.45
CYP2D6 P10635 3/20 0.42
DCUN1D1 Q96GG9 1/20 0.41
USP30 Q70CQ3 1/20 0.41
OPRM1 P35372 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
SCHEMBL1470446 1.00 CTSD (0.56) CTSDSLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL1470444 1.00 CTSD (0.56) CTSDSLC6A2SLC6A4KCNH2SLC6A3
Hydrochloric Acid SCHEMBL1846579 0.99 CTSD (0.55) CTSDSLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL691404 0.90 SLC6A2 (0.52) CTSDSLC6A2SLC6A4KCNH2SLC6A3
Hydrochloric Acid SCHEMBL1504396 0.89 SLC6A2 (0.51) CTSDSLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL1570059 0.84 CTSD (0.45) CTSDSLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL1467750 0.83 CTSD (0.56) CTSDSLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL1467752 0.83 CTSD (0.56) CTSDSLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL1467754 0.83 CTSD (0.56) CTSDSLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL2776529 0.82 CTSD (0.55) CTSDSLC6A2SLC6A4KCNH2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2990407-B1 PYRROLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2019-10-16 EP disclosed
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
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 (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 CTSD 4100/4885SLC6A2 4829/4885SLC6A4 4835/4885
US-20140100369-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS CHEK2, CHEK1, CDKN1A CTSD 4100/4885SLC6A2 4829/4885SLC6A4 4835/4885
US-20110070317-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS CHEK2, CHEK1, BUB1B CTSD 4131/4885SLC6A2 4833/4885SLC6A4 4845/4885
US-20150322061-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS CHEK2, CHEK1, CDKN1A CTSD 4100/4885SLC6A2 4829/4885SLC6A4 4835/4885
US-20130045286-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS CHEK2, CHEK1, CDKN1A CTSD 4100/4885SLC6A2 4829/4885SLC6A4 4835/4885

“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.