SCHEMBL1405912

SCHEMBL1405912

COC(=O)c1sc(-c2cccc(F)c2)cc1N

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 4/20 0.78
▸ MAPT P10636 11/20 0.65
▸ KDM4E B2RXH2 9/20 0.65
▸ NPC1 O15118 5/20 0.65
▸ RAB9A P51151 5/20 0.65
▸ CASP3 P42574 2/20 0.65
▸ SENP8 Q96LD8 2/20 0.65
▸ SENP7 Q9BQF6 2/20 0.65
▸ SENP6 Q9GZR1 2/20 0.65
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ POLB P06746 1/20 0.57
▸ MEN1 O00255 5/20 0.56
▸ ALDH1A1 P00352 5/20 0.56
▸ KMT2A Q03164 5/20 0.56
▸ HPGD P15428 3/20 0.56
▸ HSD17B10 Q99714 2/20 0.56
▸ LMNA P02545 2/20 0.54
▸ PKM P14618 1/20 0.54
▸ RXFP1 Q9HBX9 1/20 0.54
▸ CYP1A2 P05177 2/20 0.52

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
SCHEMBL1724239 0.87 IKBKB (1.00) IKBKBMAPTKDM4ENPC1RAB9A
SCHEMBL431794 0.87 MAPT (0.74) IKBKBMAPTKDM4ENPC1RAB9A
Hydrochloric Acid SCHEMBL8864118 0.86 MAPT (0.72) IKBKBMAPTKDM4ENPC1RAB9A
SCHEMBL4081426 0.85 MAPT (0.67) IKBKBMAPTKDM4ENPC1RAB9A
SCHEMBL4096459 0.84 MAPT (0.78) IKBKBMAPTKDM4ENPC1RAB9A
SCHEMBL5197381 0.82 IKBKB (0.75) IKBKBMAPTKDM4ENPC1RAB9A
SCHEMBL2879296 0.82 POLB (0.61) IKBKBMAPTKDM4ENPC1RAB9A
SCHEMBL1406017 0.82 POLB (0.71) IKBKBMAPTKDM4EPOLBALDH1A1
SCHEMBL10070140 0.81 MAPT (0.78) IKBKBMAPTKDM4ENPC1RAB9A
SCHEMBL5195941 0.80 KDM4E (0.76) IKBKBMAPTKDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2305671-A1 Thiophene and thiazole derivatives as CHK1 inhibitors AstraZeneca AB (SE) 2011-04-06 — — EP disclosed
EP-1732920-B1 THIOPHENE DERIVATIVES AS CHK 1 INHIBITORS ASTRAZENECA AB (SE) 2011-03-09 — — EP disclosed
CN-100584840-C Substituted heterocyclic compounds and uses thereof ASTRAZENECA AB 2010-01-27 — — CN disclosed
CN-1922172-A Substituted heterocyclic compounds and uses thereof ASTRAZENECA AB (SE) 2007-02-28 — — CN disclosed
US-20070010556-A1 Thiophene derivatives as chk 1 inhibitors ASTRAZENECA AB (SE) 2007-01-11 — — US disclosed
EP-1732920-A2 THIOPHENE DERIVATIVES AS CHK 1 INHIBITORS AstraZeneca AB (SE) 2006-12-20 — — EP disclosed
WO-2005066163-A2 THIOPHENE DERIVATIVES AS CHK 1 INIHIBITORS ASTRAZENECA AB (SE) 2005-07-21 — — 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-20070010556-A1 Thiophene derivatives as chk 1 inhibitors CHEK1, CHKA, CHEK2 IKBKB 581/4885MAPT 3514/4885KDM4E 713/4885

“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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