SCHEMBL4053405

SCHEMBL4053405

CCNC(=O)COc1ccc(N)cc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
NPC1 O15118 2/20 0.67
HTT P42858 1/20 0.55
HPGD P15428 1/20 0.54
TSHR P16473 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
LMNA P02545 1/20 0.49
CYP3A4 P08684 1/20 0.48
KDM4E B2RXH2 1/20 0.48
RECQL P46063 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HDAC1 Q13547 1/20 0.48
TP53 P04637 1/20 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
SCHEMBL19002729 0.84 RAB9A (0.69) RAB9ASMN1; SMN2NPC1HTTHPGD
SCHEMBL13673100 0.84 RAB9A (0.69) RAB9ASMN1; SMN2NPC1HTTHPGD
SCHEMBL12330164 0.84 RAB9A (0.60) RAB9ASMN1; SMN2NPC1HTTHPGD
SCHEMBL18997872 0.83 RAB9A (0.73) RAB9ASMN1; SMN2NPC1HTTHPGD
SCHEMBL28196799 0.83 RAB9A (0.63) RAB9ASMN1; SMN2NPC1HTTHPGD
SCHEMBL19002731 0.83 RAB9A (0.67) RAB9ASMN1; SMN2NPC1HTTHPGD
SCHEMBL27754995 0.83 RAB9A (0.67) RAB9ASMN1; SMN2NPC1HTTHPGD
SCHEMBL6612298 0.83 RAB9A (0.67) RAB9ASMN1; SMN2NPC1HTTHPGD
SCHEMBL778673 0.82 MEN1 (0.52) RAB9ASMN1; SMN2NPC1TSHRTDP1
SCHEMBL1433698 0.82 RAB9A (0.81) RAB9ASMN1; SMN2NPC1HTTHPGD

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 4 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
US-4874857-A FIBER-REACTIVE DYES BAYER AKTIENGESELLSCHAFT (DE) 1989-10-17 US 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 RAB9A 2682/4885SMN1; SMN2 4460/4885NPC1 4744/4885

“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.