SCHEMBL5495523

SCHEMBL5495523

CCN(CC)CC(=O)Nc1ccc(Nc2ncc(-c3ccsc3)cn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
GAA P10253 1/20 0.47
CTSC P53634 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PORCN Q9H237 1/20 0.41
KDR P35968 2/20 0.41
ADORA2A P29274 2/20 0.40
ADORA1 P30542 2/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA2B P29275 1/20 0.40
CSNK2A1 P68400 1/20 0.39
MAPT P10636 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
ACHE P22303 1/20 0.39
IKBKE Q14164 1/20 0.38
TBK1 Q9UHD2 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL5496471 0.83 CTSC (0.49) ALDH1A1CTSCSMN1; SMN2KDM4EPORCN
SCHEMBL5500015 0.83 CHEK2 (0.42) ALDH1A1GAACTSCSMN1; SMN2KDR
SCHEMBL5501205 0.81 CTSC (0.62) CTSCSMN1; SMN2ADORA2AADORA3CSNK2A1
SCHEMBL5496170 0.78 MGLL (0.48) ALDH1A1GAACTSCSMN1; SMN2KDM4E
SCHEMBL5499974 0.77 KDM4E (0.49) ALDH1A1GAAKDM4EHPGDMAPT
SCHEMBL14342368 0.76 EGFR (0.54) ALDH1A1GAACTSCSMN1; SMN2ADORA2A
SCHEMBL13605374 0.76 CDK4 (0.51) KDR
SCHEMBL5499013 0.76 CTSC (0.44) ALDH1A1CTSCKDM4EADORA2AADORA1
SCHEMBL5495515 0.75 CTSC (0.39) CTSCADORA2AADORA1ADORA3ADORA2B
SCHEMBL14342357 0.75 CTSC (0.46) CTSCIKBKETBK1

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-20070293484-A1 Thiophene Heteroaryl Amines SUGEN, INC. 2007-12-20 US claimed
EP-1753750-A1 THIOPHENE HETEROARYL AMINES Sugen, Inc. (US) 2007-02-21 EP claimed
WO-2005113548-A1 THIOPHENE HETEROARYL AMINES SUGEN, INC. (US) 2005-12-01 WO claimed
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-1753750-A1 THIOPHENE HETEROARYL AMINES Sugen, Inc. (US) 2007-02-21 EP disclosed
WO-2005113548-A1 THIOPHENE HETEROARYL AMINES SUGEN, INC. (US) 2005-12-01 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-20070293484-A1 Thiophene Heteroaryl Amines TTK, CHEK2, ABL1 ALDH1A1 3195/4885GAA 2608/4885CTSC 2987/4885

“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.