SCHEMBL17809809

SCHEMBL17809809

CCn1cc(-c2ccc(C)cc2)cn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.64
PIK3CD O00329 1/20 0.49
PIK3CA P42336 1/20 0.49
PIK3CB P42338 1/20 0.49
PI4KA P42356 1/20 0.49
PIK3CG P48736 1/20 0.49
PI4KB Q9UBF8 1/20 0.49
KCNH2 Q12809 10/20 0.46
PRMT5 O14744 1/20 0.45
WDR77 Q9BQA1 1/20 0.45
KDR P35968 1/20 0.44
EPHB4 P54760 1/20 0.44
TEK Q02763 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GRIN2B Q13224 2/20 0.42
CREBBP Q92793 1/20 0.42
PIM1 P11309 1/20 0.42
ACSS2 Q9NR19 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL13036117 0.85 PIK3CD (0.51) LRRK2PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL17870561 0.83 PIK3CD (0.48) LRRK2PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL18520179 0.83 PIK3CD (0.55) LRRK2PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL18609309 0.83 PIK3CD (0.48) LRRK2PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL18487593 0.82 L3MBTL1 (0.65) LRRK2PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL10195600 0.80 NAMPT (0.49) LRRK2PIK3CAKCNH2PRMT5WDR77
SCHEMBL16446825 0.80 PIK3CD (0.46) LRRK2PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL13763422 0.80 GAA (0.47) LRRK2PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL21601373 0.80 LRRK2 (0.46) LRRK2PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL17795050 0.80 NAMPT (0.48) LRRK2KCNH2PRMT5WDR77KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022120118-A1 NOVEL RIPK1 KINASE TARGETING PROTACS AND METHODS OF USE THEREOF BAYLOR COLLEGE OF MEDICINE (US) 2022-06-09 WO disclosed
EP-3138840-B1 THIADIAZOLIDINE DERIVATIVE AS ANTI-ENTEROVIRUS 71 JIANGSU KANION PHARMACEUTICAL CO LTD (CN) 2020-09-23 EP disclosed
EP-3224258-B1 4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[4,3-C]PYRIDIN-3-AMINE COMPOUNDS AS CBP AND/OR EP300 INHIBITORS GENENTECH INC (US) 2019-08-14 EP disclosed
US-20170333406-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-23 US disclosed
US-9763922-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2017-09-19 US disclosed
US-20170240519-A1 BENZOFURAN ANALOGUE AS NS4B INHIBITOR CHANGZHOU YINSHENG PHARMACEUTICAL CO., LTD. (CN) 2017-08-24 US disclosed
US-20170066732-A1 ANTI-ENTEROVIRUS 71 THIADIAZOLIDINE DERIVATIVE Jiangsu Kanion pharmaceutical CO. LTD (CN) 2017-03-09 US disclosed
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-06-09 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 (4 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-20170333406-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 LRRK2 1250/4885PIK3CD 3096/4885PIK3CA 2649/4885
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 LRRK2 1250/4885PIK3CD 3096/4885PIK3CA 2649/4885
US-20170240519-A1 BENZOFURAN ANALOGUE AS NS4B INHIBITOR GTF3C4, BRD4, CUL4B LRRK2 3313/4885PIK3CD 3656/4885PIK3CA 3020/4885
US-20170066732-A1 ANTI-ENTEROVIRUS 71 THIADIAZOLIDINE DERIVATIVE EIF2AK2, GTF3C5, GTF3C1 LRRK2 1354/4885PIK3CD 3597/4885PIK3CA 4610/4885

“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.