SCHEMBL4053407

SCHEMBL4053407

CCN(Oc1ccc(N)cc1)C(C)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.42
TDP1 Q9NUW8 5/20 0.42
CYP3A4 P08684 5/20 0.41
LMNA P02545 4/20 0.41
MAOA P21397 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 1/20 0.41
HTR3A P46098 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
CYP2C19 P33261 2/20 0.40
CYP2C9 P11712 1/20 0.40
PDE4D Q08499 1/20 0.40
BLM P54132 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL27466888 0.81 L3MBTL1 (0.42) TSHRLMNANPC1RAB9ASMN1; SMN2
SCHEMBL6957841 0.79 ALOX5 (0.47) MAOAMEN1KMT2ANPC1RAB9A
SCHEMBL778674 0.76 TDP1 (0.41) TSHRTDP1CYP3A4LMNAMAOA
SCHEMBL19439086 0.69 MEN1 (0.81) TSHRTDP1LMNAMAOAMEN1
SCHEMBL2065189 0.68 LMNA (0.43) TSHRLMNAMEN1KMT2ANPC1
Acetic Acid SCHEMBL28053212 0.68 TDP1 (0.76) TSHRTDP1CYP3A4LMNAMAOA
SCHEMBL780471 0.68 ALDH1A1 (0.52) TSHRTDP1CYP3A4LMNAMAOA
SCHEMBL22991699 0.67 LMNA (0.33) CYP3A4LMNACYP1A2CYP2C19CYP2C9
SCHEMBL28291528 0.67 TDP1 (0.48) TSHRTDP1CYP3A4LMNAMAOA
SCHEMBL11290932 0.67 SMN1; SMN2 (0.39) CYP1A2CYP2D6NPSR1SMN1; SMN2L3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7569570-B2 Thienopyrimidines, process for preparing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-08-04 US disclosed
US-20050222174-A1 Thienopyrimidines, process for preparing the same and use thereof TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2005-10-06 US disclosed
EP-1479684-A1 THIENOPYRIMIDINES, PROCESS FOR PREPARING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-11-24 EP 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-20050222174-A1 Thienopyrimidines, process for preparing the same and use thereof GNRHR, CRH, CYP19A1 TSHR 24/4885TDP1 2906/4885CYP3A4 1035/4885

“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.