SCHEMBL17870561

SCHEMBL17870561

[CH2]c1ccc(-c2cnn(CC)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.48
PIK3CA P42336 1/20 0.48
PIK3CB P42338 1/20 0.48
PI4KA P42356 1/20 0.48
PIK3CG P48736 1/20 0.48
PI4KB Q9UBF8 1/20 0.48
LRRK2 Q5S007 1/20 0.48
KCNH2 Q12809 10/20 0.44
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
GRIN2B Q13224 2/20 0.41
CREBBP Q92793 1/20 0.41
ACSS2 Q9NR19 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
PRKACA P17612 1/20 0.39

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
SCHEMBL17809809 0.83 LRRK2 (0.64) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL18609309 0.81 PIK3CD (0.48) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL18520179 0.81 PIK3CD (0.55) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL18487593 0.81 L3MBTL1 (0.65) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL17091242 0.79 PRMT5 (0.51) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL18590257 0.79 PIK3CD (0.46) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL17806603 0.79 KCNH2 (0.46) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL13763422 0.79 GAA (0.47) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL16446825 0.79 PIK3CD (0.46) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL12369754 0.79 LRRK2 (0.52) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG

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-9770446-B2 Piperidine urea derivatives MERCK PATENT GMBH (DE) 2017-09-26 US claimed
US-20160184285-A1 PIPERIDINE UREA DERIVATIVES MERCK PATENT GMBH (DE) 2016-06-30 US claimed

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-20160184285-A1 PIPERIDINE UREA DERIVATIVES PRMT1, TNKS, PRMT3 PIK3CD 1033/4885PIK3CA 1098/4885PIK3CB 1279/4885

“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.