SCHEMBL17640754

SCHEMBL17640754

COc1ccc(CNc2cc(C(C)N[S+]([O-])C(C)(C)C)c(Cl)nn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.43
NPC1 O15118 3/20 0.41
MAPT P10636 3/20 0.41
RAB9A P51151 2/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
PDE5A O76074 1/20 0.39
VNN1 O95497 1/20 0.38
CLK4 Q9HAZ1 4/20 0.37
PTGS2 P35354 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
CASR P41180 1/20 0.34
DYRK1A Q13627 1/20 0.34
PTGDR Q13258 1/20 0.34

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
SCHEMBL19307612 1.00 PIK3CD (0.43) PIK3CDNPC1MAPTRAB9AKMT2A
SCHEMBL19307613 1.00 PIK3CD (0.43) PIK3CDNPC1MAPTRAB9AKMT2A
SCHEMBL19317562 0.88 PIK3CD (0.46) PIK3CDNPC1MAPTRAB9AKMT2A
SCHEMBL17640675 0.84 PIK3CD (0.49) PIK3CDNPC1MAPTRAB9AKMT2A
SCHEMBL19307596 0.81 PIK3CD (0.67) PIK3CDMAPTKMT2AMEN1HPGD
SCHEMBL19307680 0.81 PIK3CD (0.67) PIK3CDMAPTKMT2AMEN1HPGD
SCHEMBL17633484 0.81 PIK3CD (0.67) PIK3CDMAPTKMT2AMEN1HPGD
SCHEMBL20964225 0.81 PIK3CD (0.67) PIK3CDMAPTKMT2AMEN1HPGD
SCHEMBL19307681 0.81 PIK3CD (0.67) PIK3CDMAPTKMT2AMEN1HPGD
SCHEMBL22159176 0.74 SMN1; SMN2 (0.38) PIK3CDMAPTRAB9AKMT2AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170253618-A1 NOVEL IMIDAZOPYRIDAZINE COMPOUNDS AND THEIR USE HUTCHISON MEDIPHARMA LIMITED (CN) 2017-09-07 US disclosed
WO-2016045591-A1 NOVEL IMIDAZOPYRIDAZINE COMPOUNDS AND THEIR USE HUTCHISON MEDIPHARMA LIMITED (CN) 2016-03-31 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-20170253618-A1 NOVEL IMIDAZOPYRIDAZINE COMPOUNDS AND THEIR USE PIK3R5, PIK3CD, PIK3CB PIK3CD 2/4885NPC1 2690/4885MAPT 4544/4885

“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.