SCHEMBL10004739

SCHEMBL10004739

CCc1nc2c(c(OC(C)C)c(C(=O)O)n2C)c(=O)[nH]1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNE2 O96020 2/20 0.34
▸ CCNE1 P24864 2/20 0.34
▸ CDK2 P24941 2/20 0.34
▸ CDK4 P11802 1/20 0.34
▸ CCND1 P24385 1/20 0.34
▸ PDE5A O76074 3/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ PDE1A P54750 1/20 0.33
▸ PDE1B Q01064 1/20 0.33
▸ PDE1C Q14123 1/20 0.33
▸ TNKS2 Q9H2K2 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ POLB P06746 3/20 0.31

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
SCHEMBL10004958 0.87 HPGD (0.39) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL10004243 0.81 CCNE1 (0.33) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL10004424 0.74 HPGD (0.39) PDE5ACYP1A2CYP2C19MEN1KMT2A
SCHEMBL10003985 0.72 PDE5A (0.36) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL10004427 0.69 KDM4E (0.36) CYP1A2CYP2C19MEN1KMT2AHPGD
SCHEMBL10004729 0.68 HKDC1 (0.53) LMNATSHRPOLBALDH1A1
SCHEMBL10004586 0.66 KMT2A (0.48) MEN1KMT2ALMNATSHRHPGD
SCHEMBL10004091 0.66 CDK4 (0.35) CDK4CCND1KMT2ATSHRPDE1A
SCHEMBL10003931 0.65 MAPT (0.40) CYP1A2MEN1KMT2ALMNATSHR
SCHEMBL10004170 0.64 USP2 (0.37) KMT2AHPGDL3MBTL1ALDH1A1NPC1

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-2471793-B1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-10-05 — — EP disclosed
US-8614208-B2 Fused heterocyclic ring derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-12-24 — — US disclosed
US-20120214795-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-23 — — US disclosed
EP-2471793-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-07-04 — — 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-20120214795-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF SMO, GLI1, SHH CCNE2 1503/4885CCNE1 1001/4885CDK2 502/4885

“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.

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