SCHEMBL15064667

SCHEMBL15064667

CCn1nc(-c2ccc(OC)nc2)c2ncccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 3/20 0.37
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
JAK2 O60674 1/20 0.36
CYP19A1 P11511 1/20 0.36
MAOB P27338 1/20 0.36
CYP2A6 P11509 2/20 0.36
SIGMAR1 Q99720 1/20 0.36
JMJD6 Q6NYC1 1/20 0.36
TBXAS1 P24557 1/20 0.36
PDE1A P54750 1/20 0.35
PDE1B Q01064 1/20 0.35
PDE1C Q14123 1/20 0.35
SYK P43405 1/20 0.35
CYP11B1 P15538 1/20 0.35
TNF P01375 1/20 0.35
TGFBR1 P36897 1/20 0.35
TGFBR2 P37173 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35

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
SCHEMBL570261 0.84 MEN1 (0.44) TBXAS1PDE1APDE1BPDE1C
SCHEMBL571142 0.82 TBXAS1 (0.37) TBXAS1PDE1APDE1BPDE1C
SCHEMBL15085746 0.81 HDAC1 (0.39) MAOBPDE1APDE1BPDE1C
SCHEMBL15064428 0.80 MTOR (0.40) FYNHSD17B1HSD17B2JAK2CYP19A1
SCHEMBL10285532 0.79 KDM4E (0.38) PDE1APDE1BPDE1C
SCHEMBL570539 0.78 LTA4H (0.38)
SCHEMBL15064845 0.78 PDE10A (0.37)
SCHEMBL570067 0.78 ESR1 (0.42) PDE1APDE1BPDE1C
SCHEMBL15064650 0.76 OPRM1 (0.41) CYP19A1
SCHEMBL570750 0.76 PTGS2 (0.40) CYP19A1PDE1APDE1BPDE1C

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 3 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
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

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 FYN 1189/4885HSD17B1 83/4885HSD17B2 90/4885

“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.