SCHEMBL543280

SCHEMBL543280

Cn1cc2c(C3CC3CN3C(=O)c4ccccc4C3=O)ccc(F)c2n1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
CHRM1 P11229 5/20 0.33
KEAP1 Q14145 2/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 2/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL543760 0.84 CREBBP (0.39) CYP1A2CYP2C9CYP2C19CHRM1KEAP1
SCHEMBL543761 0.84 CREBBP (0.39) CYP1A2CYP2C9CYP2C19CHRM1KEAP1
SCHEMBL543574 0.81 CHRM1 (0.37) CHRM1
SCHEMBL543904 0.78 HTR2C (0.47)
SCHEMBL543915 0.78 HTR2C (0.33)
SCHEMBL543500 0.76 MTNR1B (0.42) LMNA
SCHEMBL543283 0.72 BRD4 (0.35) CYP1A2CYP2C9CYP2C19CHRM1KDM4E
SCHEMBL543916 0.70 MAP3K5 (0.38) POLBKDM4EALDH1A1TDP1SMN1; SMN2
SCHEMBL27780716 0.69 MAT2A (0.30)
SCHEMBL544186 0.69 KEAP1 (0.37) CYP1A2CYP2C9CYP2C19KEAP1ALDH1A1

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
EP-2141150-B1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2013-12-11 EP disclosed
US-8110585-B2 Bicyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-07 US disclosed
US-20100130538-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-05-27 US disclosed
EP-2141150-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-01-06 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-20100130538-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF MTNR1A, MTNR1B, XDH MIF 1712/4885CYP1A2 74/4885CYP2C9 199/4885

“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.