Sugi Predict

Sugi Predict / Compounds / SCHEMBL15533905

SCHEMBL15533905

SCHEMBL15533905

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAD51 Q06609 1/20 0.45
▸ ADORA3 P0DMS8 1/20 0.43
▸ CTSS P25774 1/20 0.43
▸ CTSK P43235 1/20 0.43
▸ TOP1 P11387 2/20 0.42
▸ NPC1 O15118 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ SCN9A Q15858 2/20 0.41
▸ KIF11 P52732 2/20 0.40
▸ LMNA P02545 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ TP53 P04637 2/20 0.38
▸ IDO1 P14902 1/20 0.37
▸ TDO2 P48775 1/20 0.37
▸ POLB P06746 2/20 0.37
▸ ACP1 P24666 1/20 0.37
▸ LTA4H P09960 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37

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
SCHEMBL16804872 0.86 RAD51 (0.47) RAD51ADORA3CTSSCTSKTOP1
SCHEMBL3560482 0.81 KDM4E (0.49) ADORA3CTSSCTSKTOP1MAPT
SCHEMBL19262265 0.80 RAD51 (0.45) RAD51ADORA3CTSSCTSKTOP1
SCHEMBL3561445 0.80 ALDH1A1 (0.47) RAD51ADORA3CTSSCTSKTOP1
SCHEMBL3566162 0.78 ADORA3 (0.42) RAD51ADORA3CTSSCTSKTOP1
SCHEMBL7873519 0.78 KDM4E (0.50) RAD51ADORA3CTSSCTSKTOP1
SCHEMBL1841140 0.77 RAD51 (0.54) RAD51ADORA3CTSSCTSKTOP1
SCHEMBL18543854 0.77 MEN1 (0.47) NPC1MAPTRAB9ASMN1; SMN2LMNA
SCHEMBL3565861 0.77 RAD51 (0.51) RAD51ADORA3CTSSCTSKTOP1
SCHEMBL15535289 0.76 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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107344942-B Compounds that modulate voltage-gated sodium channels 会聚制药有限公司 2020-09-25 — — CN disclosed
US-20200289508-A1 NOVEL PYRIMIDINYL-DIAZOSPIRO COMPOUNDS Convergence Pharmaceuticals Limited (GB) 2020-09-17 — — US disclosed
US-20200289508-A1 NOVEL PYRIMIDINYL-DIAZOSPIRO COMPOUNDS Convergence Pharmaceuticals Limited (GB) 2020-09-17 — — US disclosed
US-20180360833-A1 NOVEL PYRIMIDINYL-DIAZOSPIRO COMPOUNDS Convergence Pharmaceuticals Limited (GB) 2018-12-20 — — US disclosed
US-10010551-B2 Pyrimidinyl-diazospiro compounds Convergence Pharmaceuticals Limited (GB) 2018-07-03 — — US disclosed
US-10010551-B2 Pyrimidinyl-diazospiro compounds Convergence Pharmaceuticals Limited (GB) 2018-07-03 — — US disclosed
US-20170304303-A1 Novel Pyrimidinyl-DiazoSpiro Compounds Convergence Pharmaceuticals Limited (GB) 2017-10-26 — — US 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
US-9737536-B2 Pyrimidinyl-diazospiro compounds Convergence Pharmaceuticals Limited (GB) 2017-08-22 — — US disclosed
EP-2861602-B1 7-Methyl-2-[4-methyl-6-[4-(trifluoromethyl)-phenyl]pyrimidin-2-yl]-1,7-diazaspiro[4.4]nonan-6-one CONVERGENCE PHARMACEUTICALS (GB) 2016-08-10 — — EP disclosed
US-20160184306-A1 Novel Pyrimidinyl-DiazoSpiro Compounds Convergence Pharmaceuticals Limited (GB) 2016-06-30 — — US disclosed
US-9376445-B2 Pyrimidinyl-diazospiro compounds Convergence Pharmaceuticals Limited (GB) 2016-06-28 — — US disclosed
US-9309254-B2 Pyrimidinyl-diazospiro compounds Convergence Pharmaceuticals Limited (GB) 2016-04-12 — — US disclosed
US-20150166551-A1 NOVEL COMPOUNDS Convergence Pharmaceuticals Limited (GB) 2015-06-18 — — US disclosed
US-20150119404-A1 NOVEL COMPOUNDS CONVERGANCE PHARMACEUTICALS LIMITED (GB) 2015-04-30 — — US disclosed
EP-2861594-A1 NOVEL COMPOUNDS Convergence Pharmaceuticals Limited (GB) 2015-04-22 — — EP disclosed
EP-2861602-A1 NOVEL COMPOUNDS Convergence Pharmaceuticals Limited (GB) 2015-04-22 — — EP disclosed
WO-2013175205-A1 Novel Compounds Convergence Pharmaceuticals Limited (GB) 2013-11-28 — — WO disclosed
WO-2013175206-A1 NOVEL COMPOUNDS Convergence Pharmaceuticals Limited (GB) 2013-11-28 — — 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 (7 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-20160184306-A1 Novel Pyrimidinyl-DiazoSpiro Compounds TRPV1, KCNJ2, KCNN2 RAD51 4602/4885ADORA3 1428/4885CTSS 4388/4885
US-20200289508-A1 NOVEL PYRIMIDINYL-DIAZOSPIRO COMPOUNDS TRPV1, KCNJ2, KCNN2 RAD51 4602/4885ADORA3 1428/4885CTSS 4388/4885
US-20150166551-A1 NOVEL COMPOUNDS KCNJ2, KCNN2, KCNN3 RAD51 4815/4885ADORA3 2155/4885CTSS 3956/4885
US-20180360833-A1 NOVEL PYRIMIDINYL-DIAZOSPIRO COMPOUNDS TRPV1, KCNJ2, KCNN2 RAD51 4602/4885ADORA3 1428/4885CTSS 4388/4885
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
US-20150119404-A1 NOVEL COMPOUNDS KCNJ2, KCNN3, KCNN2 RAD51 4842/4885ADORA3 1734/4885CTSS 3751/4885

“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.