SCHEMBL5501739

SCHEMBL5501739

O=C(CN1CCOCC1)Nc1cccc(Nc2ncc(-c3ccsc3)cn2)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
HTT P42858 1/20 0.53
JAK3 P52333 1/20 0.52
LMNA P02545 2/20 0.50
MET P08581 1/20 0.50
ALK Q9UM73 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
EGFR P00533 1/20 0.48
MAP4K4 O95819 1/20 0.48
ROCK2 O75116 1/20 0.47
ROCK1 Q13464 1/20 0.47
POLB P06746 2/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL5503212 0.91 POLB (0.57) ALDH1A1JAK3METALKSMN1; SMN2
SCHEMBL5494719 0.90 ATM (0.52) ALDH1A1JAK3LMNASMN1; SMN2EGFR
SCHEMBL5526330 0.88 TSHR (0.43) ALDH1A1JAK3METALKEGFR
SCHEMBL14342346 0.85 PDPK1 (0.52) LMNASMN1; SMN2EGFRMEN1KMT2A
SCHEMBL5496939 0.85 MET (0.40) ALDH1A1HTTJAK3METALK
SCHEMBL5502252 0.85 JAK3 (0.55) ALDH1A1HTTJAK3LMNASMN1; SMN2
SCHEMBL5530225 0.85 PARP1 (0.49) ALDH1A1JAK3METALKSMN1; SMN2
SCHEMBL5500633 0.83 HDAC3 (0.41) JAK3METALKEGFR
SCHEMBL5534432 0.82 CTSC (0.52) ALDH1A1HTTJAK3LMNAMET
SCHEMBL5503055 0.82 POLB (0.45) ALDH1A1JAK3LMNASMN1; SMN2EGFR

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 3195/4885HTT 1515/4885JAK3 318/4885

“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.