SCHEMBL13575397

SCHEMBL13575397

COc1ccc(-c2cccc(Cl)c2)cn1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.65
HSD17B2 P37059 2/20 0.65
KDR P35968 3/20 0.60
EPHB4 P54760 1/20 0.60
TEK Q02763 1/20 0.60
ADORA2A P29274 1/20 0.50
ADORA1 P30542 1/20 0.50
FYN P06241 2/20 0.49
KMT2A Q03164 1/20 0.49
CYP2A6 P11509 1/20 0.49
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
PDGFRB P09619 1/20 0.48
PDGFRA P16234 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
CNR2 P34972 1/20 0.47
PIK3CD O00329 1/20 0.47

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
SCHEMBL12498936 0.81 HSD17B1 (0.67) HSD17B1HSD17B2KDRADORA2AADORA1
SCHEMBL13575386 0.81 HSD17B1 (0.67) HSD17B1HSD17B2KDRADORA2AADORA1
SCHEMBL13575381 0.81 HSD17B1 (0.67) HSD17B1HSD17B2KDRADORA2AADORA1
SCHEMBL13575396 0.80 MKNK1 (0.57) HSD17B1HSD17B2KDREPHB4TEK
SCHEMBL5052703 0.80 MKNK1 (0.57) HSD17B1HSD17B2KDREPHB4TEK
SCHEMBL980158 0.80 HSD17B1 (0.65) HSD17B1HSD17B2KDREPHB4TEK
SCHEMBL5673332 0.80 HSD17B1 (0.97) HSD17B1HSD17B2KDRADORA2AADORA1
SCHEMBL17547019 0.80 HSD17B1 (0.65) HSD17B1HSD17B2KDREPHB4TEK
SCHEMBL31174412 0.80 CYP2A6 (0.68) HSD17B1HSD17B2FYNCYP2A6PDGFRB
SCHEMBL3754419 0.80 CYP2A6 (0.68) HSD17B1HSD17B2FYNCYP2A6PDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9290450-B2 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. (US) 2016-03-22 US disclosed
US-9290450-B2 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. (US) 2016-03-22 US disclosed
EP-2296653-B1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS INTERMUNE INC (US) 2016-01-27 EP disclosed
CN-105143207-A Substituted pyridine and substituted pyrazine compounds as PDE4 inhibitors DART NEUROSCIENCE LLC 2015-12-09 CN disclosed
US-8969347-B2 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. 2015-03-03 US disclosed
US-8969347-B2 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. 2015-03-03 US disclosed
US-20130102597-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS INTERMUNE, INC. (US) 2013-04-25 US disclosed
US-20130102597-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS INTERMUNE, INC. (US) 2013-04-25 US disclosed
US-8304413-B2 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. (US) 2012-11-06 US disclosed
US-8304413-B2 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. (US) 2012-11-06 US disclosed
US-20090318455-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS INTERMUNE, INC. (US) 2009-12-24 US disclosed
US-20090318455-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS INTERMUNE, INC. (US) 2009-12-24 US disclosed
WO-2009149188-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS INTERMUNE, INC. (US) 2009-12-10 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 (2 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-20130102597-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS MAP3K8, MAP3K1, MAP3K6 HSD17B1 2178/4885HSD17B2 2354/4885KDR 3641/4885
US-20090318455-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS MAP3K8, MAP3K1, MAP3K6 HSD17B1 2178/4885HSD17B2 2354/4885KDR 3641/4885

“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.