SCHEMBL16816533

SCHEMBL16816533

CCOc1ccc(CN)cc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.55
RXRB P28702 2/20 0.55
RXRG P48443 2/20 0.55
S1PR1 P21453 1/20 0.46
CTSS P25774 5/20 0.44
CSNK2A1 P68400 3/20 0.44
CTSK P43235 4/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
LOXL2 Q9Y4K0 2/20 0.41
MAOB P27338 1/20 0.40
LOX P28300 1/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
AR P10275 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 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
SCHEMBL17014923 0.86 RXRA (0.57) RXRARXRBRXRGS1PR1CTSS
SCHEMBL19158704 0.83 RXRA (0.55) RXRARXRBRXRGS1PR1CTSS
SCHEMBL13350088 0.83 RXRA (0.58) RXRARXRBRXRGS1PR1CTSS
SCHEMBL20560237 0.83 RXRA (0.55) RXRARXRBRXRGS1PR1CTSS
SCHEMBL13665319 0.83 S1PR1 (0.66) RXRARXRBRXRGS1PR1CSNK2A1
SCHEMBL3166206 0.83 HTR2A (0.50) S1PR1CSNK2A1LOXL2LOXLMNA
Hydrochloric Acid SCHEMBL6778197 0.81 HTR2A (0.49) S1PR1CSNK2A1LOXL2MAOBLOX
SCHEMBL619602 0.80 KEAP1 (0.53) S1PR1CTSSCSNK2A1CTSK
SCHEMBL12440410 0.79 MAPT (0.54) RXRARXRBRXRGCTSSCTSK
SCHEMBL247961 0.79 CSNK2A1 (0.59) RXRARXRBRXRGS1PR1CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2886540-B1 BICYCLIC SUBSTITUTED PYRIMIDINE COMPOUNDS XUANZHU PHARMA CO LTD (CN) 2017-07-26 EP disclosed
US-9359371-B2 Bicyclic substituted pyrimidine compounds Xuanzhu Pharma Co., Ltd. (CN) 2016-06-07 US disclosed
US-20150232474-A1 Bicyclic Substituted Pyrimidine Compounds Xuanzhu Biopharmaceutical Co., Ltd. (CN) 2015-08-20 US disclosed
EP-2886540-A1 BICYCLIC SUBSTITUTED PYRIMIDINE COMPOUNDS Xuanzhu Pharma Co., Ltd. (CN) 2015-06-24 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 (1 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-20150232474-A1 Bicyclic Substituted Pyrimidine Compounds DPYD, UMPS, TYMP RXRA 1907/4885RXRB 2104/4885RXRG 1894/4885

“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.