SCHEMBL10079684

SCHEMBL10079684

O=c1ccc(C(F)(F)F)cn1-c1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 2/20 0.48
CD274 Q9NZQ7 2/20 0.48
SLC11A2 P49281 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
OXTR P30559 1/20 0.42
AVPR1A P37288 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
EP300 Q09472 1/20 0.41
KAT2B Q92831 1/20 0.41
BCHE P06276 2/20 0.40
ACHE P22303 2/20 0.40
BACE1 P56817 2/20 0.40
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
DRD3 P35462 1/20 0.40
TLR7 Q9NYK1 1/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.37

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
SCHEMBL143208 0.76 ALDH1A1 (0.56) SMN1; SMN2TRPV1BACE1POLBTSHR
SCHEMBL1882967 0.76 SMN1; SMN2 (0.47) PDCD1CD274SLC11A2SMN1; SMN2EP300
SCHEMBL13376041 0.76 SMN1; SMN2 (0.51) PDCD1CD274SMN1; SMN2EP300KAT2B
SCHEMBL5166485 0.76 KDM4E (0.56) PDCD1CD274SLC11A2SMN1; SMN2EP300
SCHEMBL10059404 0.75 SMN1; SMN2 (0.44) PDCD1CD274SMN1; SMN2EP300KAT2B
SCHEMBL10079397 0.73 KIF11 (0.47) EP300KAT2BBCHETSHRKDM4E
SCHEMBL1885107 0.73 SMN1; SMN2 (0.45) SLC11A2SMN1; SMN2EP300KAT2BPOLB
SCHEMBL12333052 0.72 GSK3A (0.42) TRPV1KDM4EL3MBTL1
SCHEMBL10079090 0.72 TRPV1 (0.44) TRPV1EP300KAT2BPOLBKDM4E
SCHEMBL16479492 0.71 MGLL (0.41) POLBKDM4EL3MBTL1

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 16 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-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 PDCD1 3455/4885CD274 3420/4885SLC11A2 973/4885
US-20130102597-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS MAP3K8, MAP3K1, MAP3K6 PDCD1 2253/4885CD274 2866/4885SLC11A2 3343/4885
US-20090318455-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS MAP3K8, MAP3K1, MAP3K6 PDCD1 2253/4885CD274 2866/4885SLC11A2 3343/4885
US-20120014917-A1 METHODS OF TREATING HIV PATIENTS WITH ANTI-FIBROTICS MMP1, MMP8, CCL11 PDCD1 2794/4885CD274 1757/4885SLC11A2 401/4885

“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.