SCHEMBL13596807

SCHEMBL13596807

COc1cccc(-n2nnc3cccnc32)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.47
PDE4D Q08499 1/20 0.47
HPGD P15428 6/20 0.47
MAPT P10636 4/20 0.47
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
KMT2A Q03164 2/20 0.47
RAB9A P51151 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
S1PR4 O95977 1/20 0.47
LMNA P02545 1/20 0.47
S1PR1 P21453 1/20 0.47
HTT P42858 1/20 0.47
NPC1 O15118 2/20 0.47
FGFR1 P11362 1/20 0.46
TSHR P16473 6/20 0.46
NOTUM Q6P988 1/20 0.46
POLB P06746 3/20 0.45
HSD17B10 Q99714 2/20 0.45
GAA P10253 1/20 0.44

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
SCHEMBL644447 0.79 PDE4A (0.43) KMT2ARAB9AHTTNPC1POLB
SCHEMBL11851657 0.78 KDM4E (0.50) HPGDMAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL2091203 0.78 FGFR1 (0.56) HPGDMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL11847154 0.76 ALDH1A1 (0.54) PDE4BPDE4DMAPTALDH1A1HTT
SCHEMBL23596573 0.76 ALDH1A1 (0.53) HPGDMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL11846894 0.75 TUBB4A (0.49) PDE4BHPGDALDH1A1SMN1; SMN2KMT2A
SCHEMBL11845185 0.75 FAAH (0.43) HPGDKMT2AFGFR1POLB
SCHEMBL31227480 0.75 PDE4B (0.43) PDE4BPDE4DHPGDMAPTALDH1A1
SCHEMBL23596441 0.74 MAPT (0.44) PDE4BPDE4DMAPTALDH1A1SMN1; SMN2
SCHEMBL23596439 0.74 ALDH1A1 (0.50) HPGDMAPTALDH1A1SMN1; SMN2KMT2A

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
US-20090326229-A1 ALPHA-CARBOLINE DERIVATIVES AND METHODS FOR PREPARATION THEREOF TAKEDA PHAMACEUTICAL COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090326229-A1 ALPHA-CARBOLINE DERIVATIVES AND METHODS FOR PREPARATION THEREOF TAKEDA PHAMACEUTICAL COMPANY LIMITED (JP) 2009-12-31 US disclosed
WO-2008016184-A1 ALPHA-CARBOLINE DERIVATIVES AND METHODS FOR PREPARATION THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-07 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-20090326229-A1 ALPHA-CARBOLINE DERIVATIVES AND METHODS FOR PREPARATION THEREOF XDH, F7, CYP4X1 PDE4B 153/4885PDE4D 424/4885HPGD 355/4885

“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.