SCHEMBL16804872

SCHEMBL16804872

Cc1cc(-c2ccc(C(F)(F)F)cc2)nc(C)n1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAD51 Q06609 1/20 0.47
ADORA3 P0DMS8 1/20 0.46
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
TOP1 P11387 2/20 0.44
LMNA P02545 1/20 0.43
THRB P10828 1/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KIF11 P52732 3/20 0.42
SCN9A Q15858 2/20 0.42
PDE2A O00408 1/20 0.40
TP53 P04637 1/20 0.39
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
LTA4H P09960 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
SCHEMBL15533905 0.86 RAD51 (0.45) RAD51ADORA3CTSSCTSKTOP1
SCHEMBL19262265 0.83 RAD51 (0.45) RAD51ADORA3CTSSCTSKTOP1
SCHEMBL3561445 0.83 ALDH1A1 (0.47) RAD51ADORA3CTSSCTSKTOP1
SCHEMBL4716132 0.83 RAD51 (0.48) RAD51ADORA3CTSSCTSKTOP1
SCHEMBL7873519 0.80 KDM4E (0.50) RAD51ADORA3CTSSCTSKTOP1
SCHEMBL1841140 0.79 RAD51 (0.54) RAD51ADORA3CTSSCTSKTOP1
SCHEMBL8321136 0.79 RAD51 (0.43) RAD51ADORA3LMNANPC1RAB9A
SCHEMBL3556359 0.79 ADORA3 (0.50) RAD51ADORA3NPC1MAPTRAB9A
SCHEMBL3727413 0.79 CTSS (0.49) RAD51ADORA3CTSSCTSKTOP1
SCHEMBL15535289 0.79 ADORA3 (0.47) RAD51ADORA3CTSSCTSKTOP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106458952-B Heterocycle sulfamide derivatives and drug containing the heterocycle sulfamide derivatives EA制药株式会社 2019-09-27 CN disclosed
US-10010551-B2 Pyrimidinyl-diazospiro compounds Convergence Pharmaceuticals Limited (GB) 2018-07-03 US disclosed
CN-107849029-A Cyclopropane derivatives and drugs containing the same EA制药株式会社 2018-03-27 CN disclosed
US-20170304303-A1 Novel Pyrimidinyl-DiazoSpiro Compounds Convergence Pharmaceuticals Limited (GB) 2017-10-26 US disclosed
US-9737536-B2 Pyrimidinyl-diazospiro compounds Convergence Pharmaceuticals Limited (GB) 2017-08-22 US disclosed
CN-106458952-A Heterocyclic sulfonamide derivative and medicine comprising same EA制药株式会社 2017-02-22 CN disclosed
US-20160263115-A1 Novel Pyrimidinyl-DiazoSpiro Compounds Convergence Pharmaceuticals Limited (GB) 2016-09-15 US disclosed
US-9376445-B2 Pyrimidinyl-diazospiro compounds Convergence Pharmaceuticals Limited (GB) 2016-06-28 US disclosed
US-20150166551-A1 NOVEL COMPOUNDS Convergence Pharmaceuticals Limited (GB) 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 (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-20150166551-A1 NOVEL COMPOUNDS KCNJ2, KCNN2, KCNN3 RAD51 4815/4885ADORA3 2155/4885CTSS 3956/4885
US-20160263115-A1 Novel Pyrimidinyl-DiazoSpiro Compounds TRPV1, KCNJ2, SCN1A RAD51 4520/4885ADORA3 1622/4885CTSS 4443/4885
US-10010551-B2 Pyrimidinyl-diazospiro compounds KCNJ2, TRPV1, SCN2A RAD51 4436/4885ADORA3 1278/4885CTSS 4417/4885
US-20170304303-A1 Novel Pyrimidinyl-DiazoSpiro Compounds TRPV1, KCNJ2, KCNN2 RAD51 4651/4885ADORA3 1610/4885CTSS 4425/4885

“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.