SCHEMBL6023593

SCHEMBL6023593

Cc1ccc(C(=O)NCc2ccco2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 1.00
ALDH1A1 P00352 8/20 0.75
POLB P06746 4/20 0.75
HPGD P15428 8/20 0.68
TP53 P04637 3/20 0.68
HSD17B10 Q99714 1/20 0.68
MLYCD O95822 1/20 0.68
SMN1; SMN2 Q16637 3/20 0.67
LMNA P02545 2/20 0.66
MAPT P10636 4/20 0.65
CYP1A2 P05177 1/20 0.65
CYP2C9 P11712 1/20 0.65
CYP2C19 P33261 1/20 0.65
PKM P14618 1/20 0.65
TSHR P16473 2/20 0.64
USP2 O75604 1/20 0.64
NPC1 O15118 1/20 0.63
RAB9A P51151 1/20 0.63

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
SCHEMBL11736701 0.86 POLB (0.79) TDP1ALDH1A1POLBHPGDTP53
SCHEMBL14096469 0.86 ALDH1A1 (1.00) TDP1ALDH1A1POLBHPGDSMN1; SMN2
SCHEMBL4491643 0.86 TDP1 (0.75) TDP1ALDH1A1POLBHPGDTP53
SCHEMBL1490952 0.85 HPGD (0.76) TDP1ALDH1A1POLBHPGDTP53
SCHEMBL5336678 0.85 ALDH1A1 (0.79) TDP1ALDH1A1POLBHPGDSMN1; SMN2
SCHEMBL18905575 0.85 TDP1 (0.74) TDP1ALDH1A1POLBSMN1; SMN2LMNA
SCHEMBL13762084 0.85 TDP1 (0.74) TDP1ALDH1A1POLBHPGDTP53
SCHEMBL8404655 0.85 TDP1 (0.74) TDP1ALDH1A1POLBHPGDTP53
SCHEMBL2422719 0.84 TDP1 (0.73) TDP1ALDH1A1POLBHPGDTP53
SCHEMBL95374 0.84 TDP1 (0.73) TDP1ALDH1A1POLBHPGDTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160333011-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2016-11-17 US disclosed
EP-2655357-B1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO SA (CH) 2016-06-22 EP disclosed
US-20160024089-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2016-01-28 US disclosed
US-20140378449-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2014-12-25 US disclosed
US-8889673-B2 Triazolopyridine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2014-11-18 US disclosed
US-20140038939-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2014-02-06 US disclosed
US-20120264747-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS ZHU BING-YAN (US) 2012-10-18 US disclosed
US-20120225855-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS ZHU BING-YAN (US) 2012-09-06 US disclosed
US-20100048557-A1 Triazolopyridine JAK Inhibitor Compounds and Methods GENENTECH, INC. 2010-02-25 US disclosed
US-20100035875-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. 2010-02-11 US disclosed
WO-2009155565-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2009-12-23 WO disclosed
WO-2009155551-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2009-12-23 WO disclosed
EP-1658263-A1 NOVEL AMINOBENZOPHENONE COMPOUNDS Leo Pharma A/S (DK) 2006-05-24 EP disclosed
WO-2005009940-A1 NOVEL AMINOBENZOPHENONE COMPOUNDS LEO PHARMA A/S (DK) 2005-02-03 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 (8 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-20140378449-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 TDP1 379/4885ALDH1A1 2375/4885POLB 2065/4885
US-20100048557-A1 Triazolopyridine JAK Inhibitor Compounds and Methods JAK2, JAK1, JAK3 TDP1 379/4885ALDH1A1 2375/4885POLB 2065/4885
US-20160024089-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 TDP1 379/4885ALDH1A1 2375/4885POLB 2065/4885
US-20160333011-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 TDP1 359/4885ALDH1A1 2328/4885POLB 2021/4885
US-20120264747-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 TDP1 379/4885ALDH1A1 2375/4885POLB 2065/4885
US-20140038939-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 TDP1 379/4885ALDH1A1 2375/4885POLB 2065/4885
US-20120225855-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 TDP1 379/4885ALDH1A1 2375/4885POLB 2065/4885
US-20100035875-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 TDP1 379/4885ALDH1A1 2375/4885POLB 2065/4885

“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.