SCHEMBL5502283

SCHEMBL5502283

c1cc(Nc2ncc(-c3ccsc3)cn2)cc(N2CCOCC2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.58
HDAC1 Q13547 1/20 0.58
HDAC2 Q92769 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
CCNT1 O60563 5/20 0.54
CDK2 P24941 5/20 0.54
CDK9 P50750 5/20 0.54
CCNE1 P24864 1/20 0.54
CCNA2 P20248 4/20 0.50
NTRK1 P04629 1/20 0.50
PLK4 O00444 1/20 0.49
CDK1 P06493 1/20 0.48
CCNB1 P14635 1/20 0.48
CDK7 P50613 1/20 0.48
CCNH P51946 1/20 0.48
CCNA1 P78396 1/20 0.48
CAMK2D Q13557 1/20 0.48
GAK O14976 1/20 0.48
JAK2 O60674 2/20 0.48
RIPK2 O43353 2/20 0.48

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
SCHEMBL5499160 0.88 SYK (0.53) CCNT1CDK2CDK9CCNE1CCNA2
SCHEMBL5502604 0.83 SYK (0.54) CDK2NTRK1PLK4GAKJAK2
SCHEMBL5501739 0.79 ALDH1A1 (0.53) JAK3
SCHEMBL5499607 0.78 CTSC (0.62)
SCHEMBL15805160 0.77 PLK4 (0.46) HDAC3HDAC1HDAC2HDAC6CCNT1
SCHEMBL14342346 0.76 PDPK1 (0.52)
SCHEMBL5526330 0.75 TSHR (0.43) HDAC3HDAC1HDAC2HDAC6JAK3
SCHEMBL29371274 0.74 CDK2 (0.62) HDAC3HDAC1HDAC2HDAC6CCNT1
SCHEMBL12614697 0.74 HDAC3 (0.64) HDAC3HDAC1HDAC2HDAC6CCNT1
SCHEMBL19909277 0.74 HDAC3 (0.54) HDAC3HDAC1HDAC2HDAC6CCNT1

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.