SCHEMBL14974686

SCHEMBL14974686

Cn1c(OCCO)nc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.48
NPC1 O15118 5/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
HDAC6 Q9UBN7 2/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
ATM Q13315 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 2/20 0.43
PKM P14618 1/20 0.43
METAP2 P50579 1/20 0.43
METAP1 P53582 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL6606083 0.89 MEN1 (0.48) RAB9ANPC1SMN1; SMN2HDAC6HDAC1
SCHEMBL13543523 0.81 RAB9A (0.54) RAB9ANPC1SMN1; SMN2HDAC6HDAC1
SCHEMBL30589360 0.78 CHEK2 (0.52) SMN1; SMN2KDM4EKMT2A
SCHEMBL31140559 0.76 LGALS8 (0.45)
SCHEMBL459471 0.75 SMN1; SMN2 (0.57) RAB9ANPC1SMN1; SMN2ATMKDM4E
SCHEMBL30189629 0.75 SMN1; SMN2 (0.57) RAB9ANPC1SMN1; SMN2ATMKDM4E
SCHEMBL11404384 0.72 RAB9A (0.51) RAB9ANPC1SMN1; SMN2HDAC6ATM
SCHEMBL28236281 0.72 SMN1; SMN2 (0.49) RAB9ANPC1SMN1; SMN2HDAC6ATM
SCHEMBL15987069 0.71 ATM (0.53) RAB9ANPC1SMN1; SMN2ATMKDM4E
SCHEMBL4728786 0.71 HDAC6 (0.67) RAB9ANPC1SMN1; SMN2HDAC6KDM4E

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-2602255-B1 FUSED HETEROCYCLIC RING COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2017-04-26 EP disclosed
US-8883788-B2 Fused heterocyclic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-11-11 US disclosed
EP-2602255-A1 FUSED HETEROCYCLIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2013-06-12 EP disclosed
US-20130137700-A1 FUSED HETEROCYCLIC RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-30 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-20130137700-A1 FUSED HETEROCYCLIC RING COMPOUND PDE10A, PDE3A, PDE2A RAB9A 39/4885NPC1 3226/4885SMN1; SMN2 3406/4885

“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.