SCHEMBL5496439

SCHEMBL5496439

O=C(Nc1ccccc1)c1cccc(Nc2ncc(-c3cccs3)cn2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 2/20 0.50
KCNK9 Q9NPC2 2/20 0.50
HDAC1 Q13547 5/20 0.48
HDAC2 Q92769 4/20 0.48
HDAC3 O15379 3/20 0.48
HDAC6 Q9UBN7 2/20 0.48
BTK Q06187 3/20 0.47
BLK P51451 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
AURKA O14965 1/20 0.46
ABL1 P00519 2/20 0.46
PDGFRB P09619 2/20 0.46
PRKD3 O94806 1/20 0.46
PRKCG P05129 1/20 0.46
PRKCB P05771 1/20 0.46
BCR P11274 1/20 0.46
SRC P12931 1/20 0.46

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
SCHEMBL5504570 0.88 RHOA (0.53) HDAC1HDAC2HDAC3HDAC6MEN1
SCHEMBL5523916 0.82 KCNK3 (0.52) KCNK3KCNK9HDAC1HDAC2HDAC3
SCHEMBL5495323 0.80 MAP3K5 (0.55) HDAC1HDAC2HDAC3HDAC6MEN1
SCHEMBL5502163 0.80 MAPT (0.53) HDAC1HDAC2HDAC3HDAC6MEN1
SCHEMBL5499256 0.77 RHOA (0.42) HDAC1HDAC2HDAC3HDAC6NPC1
SCHEMBL14082867 0.77 PTPN1 (0.67) KCNK3KCNK9HDAC1HDAC2HDAC3
SCHEMBL29818085 0.77 LMNA (0.43) MEN1KMT2ANPC1ABL1BCR
SCHEMBL5501093 0.77 CSNK2A1 (0.54) HDAC6MEN1KMT2ANPC1RAB9A
SCHEMBL29818135 0.77 NPC1 (0.63) KCNK3HDAC1HDAC2HDAC3HDAC6
SCHEMBL12190992 0.76 HCK (0.55) KCNK3KCNK9HDAC1HDAC2HDAC3

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 KCNK3 1750/4885KCNK9 2950/4885HDAC1 726/4885

“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.