SCHEMBL3721726

SCHEMBL3721726

CCOc1ccc(I)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.52
CYP19A1 P11511 1/20 0.40
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PI4KA P42356 1/20 0.39
PIK3CG P48736 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
GABRA1 P14867 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRE P78334 1/20 0.38

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
SCHEMBL461500 0.83 GABRP (0.41) MAPTGABRA1GABRG2GABRB3GABRA5
SCHEMBL16809049 0.82 NPC1 (0.43) MAPTCYP19A1GABRA1GABRG2GABRB3
SCHEMBL9850604 0.79 CYP3A4 (0.51) MAPTGABRA1GABRG2GABRB3GABRA5
SCHEMBL9850775 0.79 CYP3A4 (0.51) MAPTGABRA1GABRG2GABRB3GABRA5
SCHEMBL10187966 0.78 PIK3CD (0.43) MAPTPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL1662258 0.77 PIK3CD (0.55) MAPTCYP19A1PIK3CDPIK3CAPIK3CB
SCHEMBL29554681 0.77
SCHEMBL138336 0.77
SCHEMBL10849679 0.76 BIRC5 (0.42) MAPTHTT
SCHEMBL130178 0.76 MAPT (0.53) MAPTCYP19A1PIK3CDPIK3CAPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113563245-B Substituted pyrrolidines and their use in medicine 广东东阳光药业股份有限公司 2024-10-15 CN disclosed
US-20220402935-A1 HETEROCYCLIC COMPOUND FIMECS, INC. (JP) 2022-12-22 US disclosed
CN-113563245-A Substituted pyrrolidine compounds and application thereof in medicines 广东东阳光药业有限公司 2021-10-29 CN disclosed
WO-2021123394-A1 G PROTEIN-COUPLED RECEPTOR MODULATORS AND A PHARMACEUTICAL COMPOSITION UNIVERSITY OF COPENHAGEN (DK) 2021-06-24 WO disclosed
EP-3544974-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF BREAST CANCER Eisai R&D Management Co., Ltd. (JP) 2019-10-02 EP disclosed
WO-2018098305-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF BREAST CANCER EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-05-31 WO disclosed
EP-2265607-B1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICALS INC (US) 2016-12-14 EP disclosed
US-8877754-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-04 US disclosed
US-8877754-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-04 US disclosed
US-20120214782-A1 New compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 US disclosed
US-20120214782-A1 New compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 US disclosed
WO-2012032014-A1 ETHYNE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-15 WO disclosed
WO-2011054783-A2 NOVEL PROCESSES GLAXO GROUP LIMITED (GB) 2011-05-12 WO disclosed
WO-2010127208-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 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 (2 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-20220402935-A1 HETEROCYCLIC COMPOUND IRAK1, IRAK2, IRAK4 MAPT 3975/4885CYP19A1 3759/4885PIK3CD 1960/4885
US-20120214782-A1 New compounds, pharmaceutical compositions and uses thereof ABCG2, PGA5, PDE6G MAPT 1497/4885CYP19A1 1320/4885PIK3CD 901/4885

“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.