SCHEMBL2644971

SCHEMBL2644971

Nc1cnc(-c2ccsc2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 2/20 0.47
▸ NPC1 O15118 2/20 0.45
▸ CASP3 P42574 1/20 0.44
▸ SENP8 Q96LD8 1/20 0.44
▸ SENP7 Q9BQF6 1/20 0.44
▸ SENP6 Q9GZR1 1/20 0.44
▸ CYP2A6 P11509 5/20 0.44
▸ TDO2 P48775 1/20 0.43
▸ ATR Q13535 1/20 0.43
▸ CYP2B6 P20813 2/20 0.42
▸ CYP2E1 P05181 1/20 0.42
▸ CYP11B1 P15538 2/20 0.40
▸ CYP11B2 P19099 2/20 0.40
▸ ALOX5AP P20292 1/20 0.40
▸ FEN1 P39748 1/20 0.40
▸ BACE1 P56817 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ NEK2 P51955 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39

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
SCHEMBL31339071 0.77 CYP11B1 (0.46) FYNNPC1CASP3SENP8SENP7
SCHEMBL12302110 0.77 CASP3 (0.47) FYNNPC1CASP3SENP8SENP7
SCHEMBL5496398 0.77 FYN (0.45) FYNNPC1CASP3SENP8SENP7
SCHEMBL14988167 0.77 CYP11B1 (0.46) FYNNPC1CASP3SENP8SENP7
SCHEMBL12248379 0.77 CYP11B1 (0.44) FYNNPC1CASP3SENP8SENP7
SCHEMBL17027857 0.74 CYP2A6 (0.61) FYNCYP2A6TDO2CYP2B6CYP2E1
SCHEMBL27736012 0.74 MAPK1 (0.44) ALOX5APFEN1
SCHEMBL10328676 0.72 CSNK2A1 (0.42) FYNNPC1CASP3SENP8SENP7
SCHEMBL29817861 0.71 FEN1 (0.62) ALOX5APFEN1
SCHEMBL934072 0.71 FEN1 (0.62) ALOX5APFEN1

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-20070293484-A1 Thiophene Heteroaryl Amines SUGEN, INC. 2007-12-20 — — US disclosed
US-20070293484-A1 Thiophene Heteroaryl Amines SUGEN, INC. 2007-12-20 — — US disclosed
US-20070293484-A1 Thiophene Heteroaryl Amines SUGEN, INC. 2007-12-20 — — US disclosed
EP-1572670-B1 5-SUBSTITUTED-PYRAZINE OR -PYRIDINE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2007-08-22 — — EP disclosed
EP-1753750-A1 THIOPHENE HETEROARYL AMINES Sugen, Inc. (US) 2007-02-21 — — EP disclosed
US-7132425-B2 5-substituted-six-membered heteroaromatic glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2006-11-07 — — US disclosed
WO-2005113548-A1 THIOPHENE HETEROARYL AMINES SUGEN, INC. (US) 2005-12-01 — — WO disclosed
EP-1572670-A1 5-SUBSTITUTED-PYRAZINE OR -PYRIDINE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-14 — — EP disclosed
US-20040147748-A1 5-Substituted-six-membered heteroaromatic glucokinase activators CHEN SHAOQING (US) 2004-07-29 — — US disclosed
WO-2004052869-A1 5-SUBSTITUTED-PYRAZINE OR PYRIDINE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2004-06-24 — — 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-20040147748-A1 5-Substituted-six-membered heteroaromatic glucokinase activators GCK, GCKR, GALK1 FYN 1659/4885NPC1 2806/4885CASP3 2986/4885
US-20070293484-A1 Thiophene Heteroaryl Amines TTK, CHEK2, ABL1 FYN 310/4885NPC1 2133/4885CASP3 2661/4885

“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.

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