SCHEMBL7074375

SCHEMBL7074375

NCc1ccc(NC(=O)c2c(F)cccc2F)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.61
JAK1 P23458 2/20 0.61
TYK2 P29597 2/20 0.61
HTT P42858 1/20 0.61
NOD2 Q9HC29 1/20 0.61
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
ITGB1 P05556 1/20 0.54
ITGA4 P13612 1/20 0.54
KLKB1 P03952 2/20 0.54
LMNA P02545 1/20 0.53
RAB9A P51151 4/20 0.51
PLG P00747 4/20 0.51
KLK1 P06870 4/20 0.51
KLK6 Q92876 4/20 0.51
NPC1 O15118 2/20 0.51
TP53 P04637 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TDP1 Q9NUW8 1/20 0.50
GAA P10253 1/20 0.50

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
SCHEMBL7075705 0.84 MEN1 (0.75) HTTMEN1KMT2AKLKB1LMNA
SCHEMBL678422 0.83 JAK2 (0.65) JAK2JAK1TYK2HTTNOD2
SCHEMBL30739821 0.82 JAK2 (0.69) JAK2JAK1TYK2HTTNOD2
SCHEMBL4031119 0.82 JAK2 (0.59) JAK2JAK1TYK2HTTNOD2
SCHEMBL30739749 0.80 JAK2 (0.71) JAK2JAK1TYK2HTTNOD2
SCHEMBL1057314 0.79 JAK2 (0.65) JAK2JAK1TYK2HTTNOD2
SCHEMBL7927691 0.79 JAK2 (0.65) JAK2JAK1TYK2HTTNOD2
SCHEMBL8234734 0.79 JAK2 (0.65) JAK2JAK1TYK2HTTNOD2
SCHEMBL2726739 0.79 HTT (0.65) JAK2JAK1TYK2HTTNOD2
SCHEMBL28326824 0.78 KMT2A (0.73) JAK2JAK1TYK2HTTNOD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030036653-A1 Diaminopyridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION 2003-02-20 US disclosed
EP-1144397-A3 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP Wyeth (US) 2002-09-11 EP disclosed
US-20020026055-A1 Aminopyridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION 2002-02-28 US disclosed
US-20010039348-A1 Alpha-methylbenzyl-containing thiourea inhibitors of herpes viruses containing a phenylenediamine group AMERICAN HOME PRODUCTS CORPORATION (US) 2001-11-08 US disclosed
EP-1144397-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-17 EP disclosed
WO-2000034258-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 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 (3 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-20030036653-A1 Diaminopyridine-containing thiourea inhibitors of herpes viruses HAVCR2, CCR6, CXCR6 JAK2 1570/4885JAK1 1309/4885TYK2 164/4885
US-20010039348-A1 Alpha-methylbenzyl-containing thiourea inhibitors of herpes viruses containing a phenylenediamine group CCR6, HAVCR2, BCOR JAK2 2424/4885JAK1 1455/4885TYK2 544/4885
US-20020026055-A1 Aminopyridine-containing thiourea inhibitors of herpes viruses TK1, TPMT, CXCR6 JAK2 421/4885JAK1 59/4885TYK2 103/4885

“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.