SCHEMBL10004072

SCHEMBL10004072

Cc1nc2c(c(OC(C)C)c(C(=O)O)n2C)c(=O)[nH]1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDE1A P54750 3/20 0.38
▸ PDE1B Q01064 3/20 0.38
▸ PDE1C Q14123 3/20 0.38
▸ PDE2A O00408 1/20 0.38
▸ PDE5A O76074 2/20 0.36
▸ KMT2A Q03164 1/20 0.31
▸ TYMS P04818 1/20 0.31
▸ CDK4 P11802 3/20 0.31
▸ CCND1 P24385 3/20 0.31
▸ HPGD P15428 1/20 0.31
▸ LMNA P02545 2/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL10004739 0.84 CCNE2 (0.34) PDE1APDE1BPDE1CPDE5AKMT2A
SCHEMBL10003985 0.82 PDE5A (0.36) PDE1APDE1BPDE1CPDE2APDE5A
SCHEMBL10004091 0.78 CDK4 (0.35) PDE1APDE1BPDE1CPDE2AKMT2A
SCHEMBL10004729 0.72 HKDC1 (0.53) LMNAMAPK1SMN1; SMN2
SCHEMBL10003931 0.67 MAPT (0.40) KMT2AHPGDLMNAMAPK1
SCHEMBL10004957 0.67 LMNA (0.45) KMT2AHPGDLMNAMAPK1SMN1; SMN2
SCHEMBL10003130 0.64 BCL2 (0.38) PDE1APDE1BPDE1CKMT2AHPGD
SCHEMBL9825854 0.62 KMT2A (0.33) KMT2A
SCHEMBL9165974 0.62 MAPT (0.37) PDE5AKMT2ALMNASMN1; SMN2
SCHEMBL18283297 0.62 CDK4 (0.44) PDE2ACDK4CCND1HPGD

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 PDE1A 1487/4885PDE1B 1445/4885PDE1C 1748/4885

“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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