SCHEMBL5273688

SCHEMBL5273688

Cc1ccc(-c2nncs2)cc1-c1ccc(N)s1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP2E1 P05181 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2A6 P11509 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2B6 P20813 1/20 0.32
CYP2C19 P33261 1/20 0.32
RET P07949 2/20 0.31
KDR P35968 2/20 0.31
CTSD P07339 1/20 0.31
BACE1 P56817 1/20 0.31
IL2 P60568 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL5273682 0.81 IKBKB (0.41) TSHRRAB9AHSD17B10KDRIL2
SCHEMBL5268579 0.78 CHEK2 (0.43) CYP2E1CYP3A4CYP2D6CYP2A6CYP2C9
SCHEMBL5269935 0.78 CHEK1 (0.43) CYP2E1CYP3A4CYP2D6CYP2A6CYP2C9
SCHEMBL5550526 0.76 FEN1 (0.46)
SCHEMBL6660883 0.76 CYP2E1 (0.39) HSD17B10CYP2E1CYP3A4CYP2D6CYP2A6
SCHEMBL5274019 0.75 NOTUM (0.45) TSHRBACE1ALDH1A1
SCHEMBL30441982 0.74 NOTUM (0.41) TSHRRAB9AHSD17B10MEN1ALDH1A1
SCHEMBL28491322 0.74 NOTUM (0.41) TSHRRAB9AHSD17B10MEN1ALDH1A1
SCHEMBL5273162 0.72 CYP3A4 (0.36) CYP2E1CYP3A4CYP2D6CYP2A6CYP2C9
SCHEMBL5270986 0.71 IL2 (0.54) IL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8802721-B2 Thiophene compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-08-12 US claimed
EP-1846388-A1 THIOPHENE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2007-10-24 EP claimed
US-20060199845-A1 Thiophene compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2006-09-07 US claimed
WO-2006081389-A1 THIOPHENE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2006-08-03 WO claimed
US-8802721-B2 Thiophene compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-08-12 US disclosed
EP-1846388-A1 THIOPHENE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2007-10-24 EP disclosed
US-20060199845-A1 Thiophene compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2006-09-07 US disclosed
WO-2006081389-A1 THIOPHENE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2006-08-03 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 (1 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-20060199845-A1 Thiophene compounds for inflammation and immune-related uses CXCR2, TPMT, CXCR1 TSHR 1183/4885RAB9A 1779/4885HSD17B10 3601/4885

“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.