SCHEMBL5495853

SCHEMBL5495853

O=C(Nc1ccc(Nc2ncc(-c3ccsc3)cn2)cc1)N1CCC(N2CCCC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
MAPT P10636 3/20 0.47
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
CALCRL Q16602 2/20 0.41
THRB P10828 2/20 0.40
CTSC P53634 1/20 0.40
CCR2 P41597 3/20 0.39
KCNH2 Q12809 2/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TP53 P04637 1/20 0.39
NAMPT P43490 1/20 0.39
L3MBTL3 Q96JM7 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 1/20 0.39
IKBKB O14920 1/20 0.39
CHUK O15111 1/20 0.39

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
SCHEMBL14342350 0.92 CYP3A4 (0.47) CYP3A4CYP2D6CYP2C19MAPTESR1
SCHEMBL5496779 0.85 KDM4E (0.51) THRBHRH3
SCHEMBL5495338 0.84 KDM4E (0.47) MAPTCTSCJAK2NAMPT
SCHEMBL5499872 0.84 THRB (0.50) MAPTTHRBCCR2KCNH2TP53
SCHEMBL5500638 0.83 SMN1; SMN2 (0.53) CYP2C19MAPTESR2JAK2TP53
SCHEMBL5521720 0.79 HRH3 (0.43) MAPTKCNH2IKBKBHRH3
SCHEMBL5530225 0.78 PARP1 (0.49) CTSCHRH3
SCHEMBL5499974 0.77 KDM4E (0.49) MAPTTHRBTP53L3MBTL1MEN1
SCHEMBL5499621 0.76 CYP3A4 (0.45) CYP3A4CYP2D6CYP2C19MAPTESR1
SCHEMBL5501205 0.74 CTSC (0.62) CYP3A4CYP2C19MAPTCTSCJAK2

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 CYP3A4 3539/4885CYP2D6 3348/4885CYP2C19 3973/4885

“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.