SCHEMBL16809359

SCHEMBL16809359

Cc1nc2c(s1)CN(CC(F)(F)F)CC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.47
RECQL P46063 1/20 0.47
DRD2 P14416 2/20 0.40
PDE10A Q9Y233 1/20 0.39
GRM5 P41594 5/20 0.39
P2RY1 P47900 2/20 0.36
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
GAA P10253 3/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 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
SCHEMBL17088067 0.86 RAD52 (0.48) RAD52RECQLDRD2PDE10AGRM5
SCHEMBL16809329 0.84 RAD52 (0.49) RAD52RECQLDRD2GRM5P2RY1
SCHEMBL22966532 0.82 RAD52 (0.44) RAD52RECQLDRD2GRM5P2RY1
SCHEMBL15596888 0.82 RAD52 (0.43) RAD52RECQLDRD2GRM5P2RY1
SCHEMBL21451957 0.81 RAD52 (0.43) RAD52RECQLPDE10AGRM5DPP4
SCHEMBL6369558 0.81 RAD52 (0.69) RAD52RECQLPDE10AGRM5HRH3
SCHEMBL16609856 0.79 RAD52 (0.47) RAD52RECQLDRD2PDE10AGRM5
SCHEMBL16609857 0.79 RAD52 (0.47) RAD52RECQLDRD2PDE10AGRM5
SCHEMBL15918533 0.79 RAD52 (0.47) RAD52RECQLPDE10AGRM5DPP4
SCHEMBL12680942 0.78 RAD52 (0.53) RAD52RECQLDRD2PDE10AGRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019192506-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2019-10-10 WO disclosed
US-9540323-B2 7-hydroxy-indolinyl antagonists of P2Y1 receptor BRISTOL-MYERS SQUIBB COMPANY (US) 2017-01-10 US disclosed
US-9428504-B2 7-hydroxy-spiropipiperidine indolinyl antagonists of P2Y1 receptor BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-30 US disclosed
US-20150259286-A1 7-HYDROXY-INDOLINYL ANTAGONISTS OF P2Y1 RECEPTOR BRISTOL-MYERS SQUIBB COMPANY 2015-09-17 US disclosed
US-20150166538-A1 7-HYDROXY-SPIROPIPIPERIDINE INDOLINYL ANTAGONISTS OF P2Y1 RECEPTOR BRISTOL-MYERS SQUIBB COMPANY 2015-06-18 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 (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-20150259286-A1 7-HYDROXY-INDOLINYL ANTAGONISTS OF P2Y1 RECEPTOR P2RY1, P2RY11, P2RY2 RAD52 4386/4885RECQL 1766/4885DRD2 675/4885
US-20150166538-A1 7-HYDROXY-SPIROPIPIPERIDINE INDOLINYL ANTAGONISTS OF P2Y1 RECEPTOR P2RY1, P2RY2, P2RY11 RAD52 3512/4885RECQL 915/4885DRD2 590/4885

“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.