SCHEMBL4209652

SCHEMBL4209652

FC(F)(F)c1cc(Br)ccc1SSc1ccc(Br)cc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.46
HCAR1 Q9BXC0 1/20 0.36
NT5E P21589 1/20 0.34
NPFFR1 Q9GZQ6 1/20 0.34
NPFFR2 Q9Y5X5 1/20 0.34
HRH4 Q9H3N8 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA5A P35218 1/20 0.32
CA9 Q16790 1/20 0.32
S1PR4 O95977 1/20 0.32
EPRS1 P07814 1/20 0.32
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
PDE7A Q13946 1/20 0.32
GLA P06280 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL710314 0.83 KDM1A (0.43) KDM1AHCAR1NT5ENPFFR1NPFFR2
SCHEMBL6267032 0.78 KDM1A (0.50) KDM1AHCAR1NT5ENPFFR1NPFFR2
SCHEMBL31560015 0.78 AR (0.41) KDM1AHCAR1NPFFR1NPFFR2HRH4
SCHEMBL2065678 0.78 DDR1 (0.42) KDM1AHCAR1HRH4S1PR4
SCHEMBL264729 0.77 IDO1 (0.47) KDM1ANT5ENPFFR1NPFFR2
SCHEMBL4205688 0.77 IDO1 (0.44) HCAR1PDE7AGLAPOLBGAA
SCHEMBL31373429 0.76 KDM1A (0.48) KDM1AHCAR1
SCHEMBL5574275 0.76 GLA (0.54) KDM1AHCAR1NT5ENPFFR1NPFFR2
SCHEMBL31373428 0.76 KDM1A (0.48) KDM1AHCAR1
SCHEMBL394303 0.76 KDM1A (0.48) KDM1AHCAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215817-A1 Novel Triazolopyridine Compounds for the Treatment of Inflammation PFIZER INC 2009-08-27 US disclosed
US-20090215817-A1 Novel Triazolopyridine Compounds for the Treatment of Inflammation PFIZER INC 2009-08-27 US disclosed
US-20090215817-A1 Novel Triazolopyridine Compounds for the Treatment of Inflammation PFIZER INC 2009-08-27 US disclosed
US-20090209577-A1 Novel Triazolopyridine Compounds PFIZER INC. (US) 2009-08-20 US disclosed
US-20090209577-A1 Novel Triazolopyridine Compounds PFIZER INC. (US) 2009-08-20 US disclosed
US-20090209577-A1 Novel Triazolopyridine Compounds PFIZER INC. (US) 2009-08-20 US disclosed
EP-1786811-A2 TRIAZOLOPYRIDINE COMPOUNDS Pharmacia & Upjohn Company LLC (US) 2007-05-23 EP disclosed
EP-1781655-A2 TRIAZOLOPYRIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATION Pharmacia & Upjohn Company LLC (US) 2007-05-09 EP disclosed
WO-2006018735-A2 TRIAZOLOPYRIDINE COMPOUNDS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-02-23 WO disclosed
WO-2006018727-A2 TRIAZOLOPYRIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATION PHARMACIA & UPJOHN COMPANY LLC (US) 2006-02-23 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-20090209577-A1 Novel Triazolopyridine Compounds MAP3K2, MAP3K5, MAP3K9 KDM1A 2577/4885HCAR1 2037/4885NT5E 1218/4885
US-20090215817-A1 Novel Triazolopyridine Compounds for the Treatment of Inflammation TNF, MAP3K2, MAP3K5 KDM1A 2553/4885HCAR1 1308/4885NT5E 1159/4885

“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.