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SCHEMBL15065028

SCHEMBL15065028

CC(C)n1nc(-c2ccc(Oc3nc4cccnc4n3C)cc2)c2ncc(F)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE1A P54750 6/20 0.39
▸ PDE1B Q01064 6/20 0.39
▸ PDE1C Q14123 6/20 0.39
▸ HDAC1 Q13547 2/20 0.35
▸ HDAC6 Q9UBN7 2/20 0.35
▸ HDAC5 Q9UQL6 2/20 0.35
▸ PDE10A Q9Y233 6/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ CYP1A2 P05177 3/20 0.34
▸ CYP3A4 P08684 3/20 0.34
▸ HPGD P15428 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ USP2 O75604 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ PIK3CD O00329 2/20 0.33
▸ ABL1 P00519 2/20 0.33
▸ EGFR P00533 2/20 0.33
▸ HCK P08631 2/20 0.33

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
SCHEMBL569696 0.89 ALDH1A1 (0.40) HDAC1HDAC6HDAC5PDE10AALDH1A1
SCHEMBL15064701 0.88 PDE1A (0.39) PDE1APDE1BPDE1CHDAC1HDAC6
SCHEMBL15085769 0.86 HDAC1 (0.36) HDAC1HDAC6HDAC5PDE10AALDH1A1
SCHEMBL15064775 0.86 HDAC1 (0.37) PDE1APDE1BPDE1CHDAC1HDAC6
SCHEMBL571021 0.79 PIK3CD (0.38) PDE1APDE1BPDE1CHDAC1HDAC6
SCHEMBL15064773 0.78 HDAC1 (0.37) PDE1APDE1BPDE1CHDAC1HDAC6
SCHEMBL570298 0.78 PDE1A (0.37) PDE1APDE1BPDE1CHDAC1HDAC6
SCHEMBL15065236 0.78 NAMPT (0.40) HDAC1HDAC6HDAC5PDE10AALDH1A1
SCHEMBL15064441 0.78 PDE1A (0.36) PDE1APDE1BPDE1CPDE10APIK3CD
SCHEMBL570249 0.77 CYP1A2 (0.41) ALDH1A1CYP1A2CYP3A4HPGDMEN1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601192-B1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICALS CO (JP) 2017-03-01 — — EP disclosed
EP-2601192-B1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICALS CO (JP) 2017-03-01 — — EP disclosed
US-9029536-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-12 — — US disclosed
US-9029536-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-12 — — US disclosed
US-9029536-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-12 — — US disclosed
US-20130172292-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-04 — — US disclosed
US-20130172292-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-04 — — 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-20130172292-A1 FUSED HETEROCYCLIC COMPOUNDS PDE10A, PDE3A, PDE2A PDE1A 15/4885PDE1B 14/4885PDE1C 46/4885

“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.