SCHEMBL12844448

SCHEMBL12844448

CCn1ncc2nccnc21

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.41
HTT P42858 1/20 0.33
TGFBR1 P36897 1/20 0.32
PDE4B Q07343 3/20 0.31
HASPIN Q8TF76 1/20 0.31
CYP11B2 P19099 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
ABL1 P00519 1/20 0.31
BCR P11274 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
RECQL P46063 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MAT2A P31153 1/20 0.31
HPGD P15428 1/20 0.31
PDE5A O76074 1/20 0.30
NR3C1 P04150 1/20 0.30

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
SCHEMBL10767571 0.78
SCHEMBL25154463 0.75 GRIN2B (0.32)
SCHEMBL30785420 0.75 GRIN2B (0.32)
SCHEMBL24835490 0.73 GAA (0.41) XDHHTTTGFBR1GAAKMT2A
SCHEMBL25098948 0.73 ALDH1A1 (0.39) XDHGAAKMT2ANR3C1
SCHEMBL25154222 0.73 XDH (0.37) XDHMAPTTSHRRECQLNPSR1
SCHEMBL30316641 0.73 XDH (0.41) XDHHASPINHPGD
SCHEMBL29489066 0.73 ALDH1A1 (0.39) XDHGAAKMT2ANR3C1
SCHEMBL256369 0.71 PI4KA (0.39) KMT2A
SCHEMBL23507946 0.71 XDH (0.36) XDHPDE4B

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
US-11542297-B2 Compositions and methods for treating CNS disorders SAGE THERAPEUTICS, INC. (US) 2023-01-03 US disclosed
US-11530237-B2 Compositions and methods for treating CNS disorders SAGE THERAPEUTICS, INC. (US) 2022-12-20 US disclosed
US-20220220150-A1 COMPOSITIONS AND METHODS FOR TREATING CNS DISORDERS SAGE THERAPEUTICS, INC. 2022-07-14 US disclosed
US-20200392177-A1 COMPOSITIONS AND METHODS FOR TREATING CNS DISORDERS SAGE THERAPEUTICS, INC. 2020-12-17 US disclosed
US-10577390-B2 Compositions and methods for treating CNS disorders SAGE THERAPEUTICS, INC. (US) 2020-03-03 US disclosed
US-20170240589-A1 COMPOSITIONS AND METHODS FOR TREATING CNS DISORDERS SAGE THERAPEUTICS, INC. 2017-08-24 US disclosed
US-20110059976-A1 PYRIDO PYRIMIDINONES, DIHYDRO PYRIMIDO PYRIMIDINONES AND PTERIDINONES USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. 2011-03-10 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 (7 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-11530237-B2 Compositions and methods for treating CNS disorders ADRA1B, ADRA2B, ADRA1A XDH 2473/4885HTT 1756/4885TGFBR1 1425/4885
US-10577390-B2 Compositions and methods for treating CNS disorders ADRA1B, ADRA2B, GRIN2B XDH 2511/4885HTT 1726/4885TGFBR1 1672/4885
US-20220220150-A1 COMPOSITIONS AND METHODS FOR TREATING CNS DISORDERS ADRA1B, ADRA2B, ADRA1A XDH 2478/4885HTT 1772/4885TGFBR1 1413/4885
US-20200392177-A1 COMPOSITIONS AND METHODS FOR TREATING CNS DISORDERS ADRA1B, ADRA2B, ADRA1A XDH 2473/4885HTT 1756/4885TGFBR1 1425/4885
US-20170240589-A1 COMPOSITIONS AND METHODS FOR TREATING CNS DISORDERS ADRA1B, ADRA2B, ADRA1A XDH 2560/4885HTT 1792/4885TGFBR1 1649/4885
US-11542297-B2 Compositions and methods for treating CNS disorders ADRA1B, ADRA2B, ADRA1A XDH 2478/4885HTT 1772/4885TGFBR1 1413/4885
US-20110059976-A1 PYRIDO PYRIMIDINONES, DIHYDRO PYRIMIDO PYRIMIDINONES AND PTERIDINONES USEFUL AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF XDH 578/4885HTT 4600/4885TGFBR1 1849/4885

“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.