SCHEMBL16752186

SCHEMBL16752186

Cc1n[nH]c2nc(Br)ccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.39
ADORA2A P29274 4/20 0.39
CYP1A2 P05177 1/20 0.35
CCNT1 O60563 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CDK9 P50750 1/20 0.33
CCNA1 P78396 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
DYRK1A Q13627 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GAA P10253 2/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.31
ADORA2B P29275 1/20 0.31
TSHR P16473 1/20 0.31
ENPP3 O14638 1/20 0.30
ALPL P05186 1/20 0.30

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
SCHEMBL7926347 0.79 ADORA1 (0.48) ADORA1ADORA2AGAAKMT2A
SCHEMBL29768213 0.78 PDPK1 (0.46) ADORA1ADORA2ACYP1A2CCNT1CCNA2
SCHEMBL26675355 0.78 PDPK1 (0.46) ADORA1ADORA2ACYP1A2CCNT1CCNA2
SCHEMBL31512175 0.77 CLK1 (0.46) ADORA1ADORA2ACYP1A2CDK5CDK5R1
SCHEMBL25475233 0.76 ADORA1 (0.50) ADORA1ADORA2ACYP1A2MAPTGAA
SCHEMBL3150981 0.76 ADORA2A (0.38) ADORA1ADORA2ACYP1A2MAPTGAA
SCHEMBL11975949 0.76 HSD17B10 (0.38) ADORA1ADORA2ACYP1A2GAAKMT2A
SCHEMBL32683505 0.76 ADORA1 (0.50) ADORA1ADORA2ACYP1A2MAPTGAA
SCHEMBL30857971 0.76 HSD17B10 (0.38) ADORA1ADORA2ACYP1A2GAAKMT2A
SCHEMBL30506272 0.76 ADORA2A (0.38) ADORA1ADORA2ACYP1A2MAPTGAA

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
EP-3444238-B1 PROCESS FOR PREPARING DIFLUOROMETHYLENE COMPOUNDS SATO PHARMA (JP) 2021-12-08 EP disclosed
EP-3444238-A2 PROCESS FOR PREPARING DIFLUOROMETHYLENE COMPOUNDS Sato Pharmaceutical Co., Ltd. (JP) 2019-02-20 EP disclosed
EP-2878594-B1 DIFLUOROMETHYLENE COMPOUND SATO PHARMA (JP) 2018-11-28 EP disclosed
US-9650380-B2 Difluoromethylene compound SATO PHARMACEUTICAL CO., LTD. (JP) 2017-05-16 US disclosed
US-20170044158-A1 DIFLUOROMETHYLENE COMPOUND SATO PHARMACEUTICAL CO., LTD. (JP) 2017-02-16 US disclosed
US-9512119-B2 Difluoromethylene compound SATO PHARMACEUTICAL CO., LTD. (JP) 2016-12-06 US disclosed
US-20150191463-A1 DIFLUOROMETHYLENE COMPOUND SATO PHARMACEUTICAL CO., LTD. (JP) 2015-07-09 US disclosed
EP-2878594-A1 DIFLUOROMETHYLENE COMPOUND Sato Pharmaceutical Co., Ltd. (JP) 2015-06-03 EP 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-20170044158-A1 DIFLUOROMETHYLENE COMPOUND XDH, URB2, MNAT1 ADORA1 734/4885ADORA2A 1514/4885CYP1A2 663/4885
US-20150191463-A1 DIFLUOROMETHYLENE COMPOUND XDH, SULT1A1, RFT1 ADORA1 565/4885ADORA2A 1163/4885CYP1A2 510/4885

“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.