SCHEMBL5500633

SCHEMBL5500633

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
PDPK1 O15530 2/20 0.40
EGFR P00533 7/20 0.40
CTSL P07711 1/20 0.39
CTSC P53634 1/20 0.39
PRMT5 O14744 3/20 0.39
WDR77 Q9BQA1 3/20 0.39
EPHX2 P34913 1/20 0.39
IDH2 P48735 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
BTK Q06187 3/20 0.38
MET P08581 1/20 0.38
ALK Q9UM73 1/20 0.38
ITK Q08881 1/20 0.37
JAK3 P52333 1/20 0.37

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
SCHEMBL5496939 0.89 MET (0.40) HDAC3HDAC1HDAC2HDAC6EGFR
SCHEMBL14342346 0.86 PDPK1 (0.52) PDPK1EGFREPHX2
SCHEMBL5501739 0.83 ALDH1A1 (0.53) EGFRMETALKJAK3
SCHEMBL5526330 0.79 TSHR (0.43) HDAC3HDAC1HDAC2HDAC6PDPK1
SCHEMBL5499970 0.78 LIMK1 (0.48) PDPK1EGFRCTSLCTSC
SCHEMBL5495846 0.77 SMN1; SMN2 (0.55) EGFREPHX2
SCHEMBL5499927 0.76 LIMK1 (0.41) PDPK1EGFRCTSLCTSCIDH2
SCHEMBL5503212 0.74 POLB (0.57) EGFRCTSLCTSCCYP2C19MET
SCHEMBL5502283 0.73 HDAC3 (0.58) HDAC3HDAC1HDAC2HDAC6JAK3
SCHEMBL5494719 0.73 ATM (0.52) EGFRJAK3

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 HDAC3 1269/4885HDAC1 726/4885HDAC2 876/4885

“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.