SCHEMBL20747258

SCHEMBL20747258

COc1ccc(CNc2cc(C(C)N)c(-c3ccc(-c4cccc(COC(=O)ON5C(=O)CCC5=O)c4)cc3)nn2)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.40
SCD O00767 7/20 0.35
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
PTGDR Q13258 1/20 0.34
FFAR1 O14842 2/20 0.34
PPARD Q03181 1/20 0.34
VNN1 O95497 1/20 0.34
CASR P41180 1/20 0.33
AKR1C3 P42330 2/20 0.33
VCP P55072 1/20 0.33
HDAC1 Q13547 1/20 0.33
DYRK1A Q13627 1/20 0.33
CLK4 Q9HAZ1 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
SCHEMBL17640680 0.76 PIK3CD (0.51) PIK3CDNPC1MAPTRAB9APTGDR
SCHEMBL17640681 0.71 ATM (0.48) PIK3CD
SCHEMBL7278679 0.69 KMT2A (0.46) NPC1RAB9A
SCHEMBL19307654 0.69 PIK3CD (0.49) PIK3CDNPC1MAPTRAB9APTGDR
SCHEMBL11529716 0.63 L3MBTL1 (0.46) MAPTRAB9A
SCHEMBL5223669 0.62 CLK4 (0.54) NPC1MAPTRAB9ACLK4
SCHEMBL17103886 0.61 MMP1 (0.49) MAPT
SCHEMBL15056387 0.61 MMP1 (0.49) MAPTRAB9A
SCHEMBL17640675 0.61 PIK3CD (0.49) PIK3CDNPC1MAPTRAB9APTGDR
SCHEMBL9360061 0.61 MMP1 (0.52) FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10208066-B2 Imidazopyridazine compounds and their use HUTCHISON MEDIPHARMA LIMITED (CN) 2019-02-19 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-10208066-B2 Imidazopyridazine compounds and their use PIK3R5, PIK3CD, INPP5D PIK3CD 2/4885SCD 4751/4885NPC1 2771/4885

“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.