SCHEMBL9902640

SCHEMBL9902640

CC1CN(C(=O)OC(C)(C)C)Cc2scc(-c3cccc(F)c3)c2O1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.40
CREBBP Q92793 2/20 0.40
MKNK1 Q9BUB5 1/20 0.37
TP53 P04637 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
GRM2 Q14416 1/20 0.36
USP30 Q70CQ3 3/20 0.36
BACE1 P56817 1/20 0.36
BACE2 Q9Y5Z0 1/20 0.36
HDAC1 Q13547 2/20 0.35
SCD5 Q86SK9 1/20 0.35
HDAC2 Q92769 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
NTMT1 Q9BV86 1/20 0.35
GRM5 P41594 1/20 0.35
HPGDS O60760 1/20 0.34
HDAC8 Q9BY41 1/20 0.34

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
SCHEMBL9902850 0.88 ABL1 (0.43) BRD4CREBBPMKNK1TP53GRM2
Hydrochloric Acid SCHEMBL11893704 0.87 ABL1 (0.42) BRD4CREBBPMKNK1TP53GRM2
SCHEMBL9902355 0.86 GRM2 (0.39) GRM2SCD5GRM5
SCHEMBL9903679 0.86 GRM2 (0.39) GRM2SCD5GRM5
SCHEMBL9903744 0.84 BRD4 (0.40) BRD4CREBBPHDAC6GRM2USP30
SCHEMBL9901781 0.83 MKNK1 (0.42) BRD4CREBBPMKNK1TP53USP30
SCHEMBL9902442 0.78 BRD4 (0.37) BRD4CREBBPUSP30GPR119
SCHEMBL9903900 0.76 NAMPT (0.37) BRD4CREBBPGPR119
SCHEMBL9903184 0.75 BRD4 (0.36) BRD4CREBBPUSP30GPR119
SCHEMBL9903797 0.75 BRD4 (0.36) BRD4CREBBPUSP30GPR119

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-8916549-B2 Thienooxazepine derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-23 US disclosed
EP-2463290-B1 THIENOOXAZEPINE DERIVATIVE TAKEDA PHARMACEUTICAL (JP) 2014-03-05 EP disclosed
US-20120196848-A1 THIENOOXAZEPINE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-02 US disclosed
EP-2463290-A1 THIENOOXAZEPINE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2012-06-13 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-20120196848-A1 THIENOOXAZEPINE DERIVATIVE HTR2C, HTR2B, HTR2A BRD4 550/4885CREBBP 758/4885MKNK1 1813/4885

“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.