SCHEMBL570508

SCHEMBL570508

CCn1nc(-c2ccc3c(c2)CCN3c2nc3ccccc3[nH]2)c2ncccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
RAB9A P51151 3/20 0.36
PDE10A Q9Y233 2/20 0.35
NPY5R Q15761 1/20 0.35
RIPK1 Q13546 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
ACHE P22303 2/20 0.33
KIT P10721 1/20 0.33
SORD Q00796 1/20 0.33
KDM4E B2RXH2 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
TNNI3 P19429 1/20 0.33
CRHBP P24387 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
TNNT2 P45379 1/20 0.33
CASP7 P55210 1/20 0.33
TNNC1 P63316 1/20 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
SCHEMBL15064431 0.76 AURKA (0.38) MAPTRAB9ANPY5RSMN1; SMN2KDM4E
SCHEMBL12473779 0.76 ACSS2 (0.39) MAPTRAB9ASMN1; SMN2ACHEKDM4E
SCHEMBL569849 0.76 EGLN1 (0.43) MAPTRAB9APDE10ANPY5RSMN1; SMN2
SCHEMBL1701449 0.73 PDE10A (0.37) MAPTRAB9APDE10ASMN1; SMN2KDM4E
SCHEMBL570637 0.73 LTA4H (0.44) MAPTRAB9APDE10ANPY5RSMN1; SMN2
SCHEMBL571100 0.72 PDE10A (0.49) PDE10A
SCHEMBL15064845 0.71 PDE10A (0.37) MAPTRAB9APDE10ANPY5RSMN1; SMN2
SCHEMBL7688580 0.71 GRM5 (0.38) MAPTRAB9APDE10ASMN1; SMN2MEN1
SCHEMBL570261 0.70 MEN1 (0.44) MAPTPDE10AKDM4ETDP1MEN1
SCHEMBL569493 0.70 ROCK1 (0.47) MAPTRAB9AACHEMEN1KMT2A

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 11 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
US-20130172292-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-04 US disclosed
EP-2601192-A1 FUSED HETEROCYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2013-06-12 EP disclosed
WO-2012018909-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-09 WO disclosed
WO-2012018909-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-09 WO 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 MAPT 4109/4885RAB9A 64/4885PDE10A 1/4885

“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.