SCHEMBL5496779

SCHEMBL5496779

O=C(CN1CCC(N2CCCC2)CC1)Nc1ccc(Nc2ncc(-c3ccsc3)cn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
PARP1 P09874 2/20 0.49
HRH3 Q9Y5N1 14/20 0.46
MCHR1 Q99705 1/20 0.42
THRB P10828 1/20 0.41

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
SCHEMBL5530225 0.92 PARP1 (0.49) KDM4EALDH1A1PARP1HRH3MCHR1
SCHEMBL5499974 0.91 KDM4E (0.49) KDM4EALDH1A1HRH3THRB
SCHEMBL5500635 0.89 HRH3 (0.43) KDM4EALDH1A1HRH3THRB
SCHEMBL5495853 0.85 CYP3A4 (0.48) HRH3THRB
SCHEMBL5496170 0.85 MGLL (0.48) KDM4EALDH1A1
SCHEMBL5494719 0.84 ATM (0.52) KDM4EALDH1A1HRH3
SCHEMBL5501185 0.83 HRH3 (0.38) KDM4EALDH1A1HRH3MCHR1THRB
SCHEMBL5503212 0.82 POLB (0.57) KDM4EALDH1A1
SCHEMBL5503055 0.78 POLB (0.45) KDM4EALDH1A1THRB
SCHEMBL14342350 0.78 CYP3A4 (0.47)

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 KDM4E 1354/4885ALDH1A1 3195/4885PARP1 960/4885

“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.