SCHEMBL10059558

SCHEMBL10059558

O=c1ccc(-c2cccnc2)cn1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.49
PDE10A Q9Y233 1/20 0.48
CHRM5 P08912 2/20 0.47
ABL1 P00519 5/20 0.47
OPRM1 P35372 1/20 0.47
KCNH2 Q12809 1/20 0.47
CYP11B1 P15538 4/20 0.45
CYP11B2 P19099 3/20 0.45
KDR P35968 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PTGS2 P35354 1/20 0.41
DYRK1A Q13627 1/20 0.40
AHR P35869 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
SCHEMBL10059520 0.86 CHRM5 (0.44) PDE10ACHRM5ABL1PTGS2
SCHEMBL10059526 0.85 PDE10A (0.47) PDE10ACHRM5ABL1KDRPTGS2
SCHEMBL10059811 0.84 PDE10A (0.54) PDE10ACHRM5NPC1RAB9A
SCHEMBL18073522 0.84 PDE10A (0.44) PDE10ANPC1RAB9APTGS2
SCHEMBL16541541 0.83 CYP19A1 (0.45) CHRM5CYP11B1CYP11B2NPC1RAB9A
SCHEMBL10059836 0.81 PDE10A (0.46) PDE10ANPC1RAB9APTGS2
SCHEMBL16474632 0.81 ABL1 (0.52) NPY5RCHRM5ABL1OPRM1KCNH2
SCHEMBL10059563 0.80 GLO1 (0.48) CYP11B1CYP11B2KDRNPC1RAB9A
SCHEMBL10059567 0.80 CYP2A6 (0.47) CYP11B1CYP11B2NPC1PTGS2
SCHEMBL8103834 0.80 NPY5R (0.65) NPY5RCHRM5ABL1OPRM1KCNH2

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 18 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
EP-2296653-B1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS INTERMUNE INC (US) 2016-01-27 EP 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-20120014917-A1 METHODS OF TREATING HIV PATIENTS WITH ANTI-FIBROTICS UNIVERSITY OF MINNESOTA (US) 2012-01-19 US disclosed
US-20110218515-A1 Methods for Treating Acute Myocardial Infarctions and Associated Disorders THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-09-08 US disclosed
WO-2010135470-A1 PIFENIDONE DERIVATIVES FOR TREATING BRONCHIAL ASTHMA INTERMUNE, INC. (US) 2010-11-25 WO disclosed
WO-2010132864-A1 METHODS OF TREATING HIV PATIENTS WITH ANTI-FIBROTICS INTERMUNE, INC. (US) 2010-11-18 WO disclosed
US-20100190731-A1 METHODS FOR TREATING ACUTE MYOCARDIAL INFARCTIONS AND ASSOCIATED DISORDERS INTERMUNE, INC. 2010-07-29 US disclosed
US-20100190731-A1 METHODS FOR TREATING ACUTE MYOCARDIAL INFARCTIONS AND ASSOCIATED DISORDERS INTERMUNE, INC. 2010-07-29 US disclosed
WO-2010085805-A1 METHODS FOR TREATING ACUTE MYOCARDIAL INFARCTIONS AND ASSOCIATED DISORDERS INTERMUNE, INC. (US) 2010-07-29 WO 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 (4 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-20100190731-A1 METHODS FOR TREATING ACUTE MYOCARDIAL INFARCTIONS AND ASSOCIATED DISORDERS TNNI3, FABP3, TNNT2 NPY5R 2722/4885PDE10A 922/4885CHRM5 1158/4885
US-20130102597-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS MAP3K8, MAP3K1, MAP3K6 NPY5R 4490/4885PDE10A 2058/4885CHRM5 4054/4885
US-20090318455-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS MAP3K8, MAP3K1, MAP3K6 NPY5R 4490/4885PDE10A 2058/4885CHRM5 4054/4885
US-20120014917-A1 METHODS OF TREATING HIV PATIENTS WITH ANTI-FIBROTICS MMP1, MMP8, CCL11 NPY5R 4215/4885PDE10A 2238/4885CHRM5 3008/4885

“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.