SCHEMBL3460243

SCHEMBL3460243

Cc1ccc(C(F)(F)F)cc1C[C@@H](C)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 3/20 0.44
S1PR1 P21453 1/20 0.41
HTR2A P28223 3/20 0.40
HTR2B P41595 2/20 0.40
HTR2C P28335 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CETP P11597 1/20 0.38
SLC6A4 P31645 3/20 0.36
SLC6A2 P23975 1/20 0.36
IDO1 P14902 1/20 0.36
PNMT P11086 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
ADRA2C P18825 1/20 0.36
ADRA1A P35348 1/20 0.36
DRD3 P35462 1/20 0.36
OPRK1 P41145 1/20 0.36
KCNH2 Q12809 1/20 0.35

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
SCHEMBL3466401 1.00 PDE2A (0.44) PDE2AS1PR1HTR2AHTR2BHTR2C
SCHEMBL20651130 0.86 HTR2A (0.42) PDE2AS1PR1HTR2AHTR2BHTR2C
SCHEMBL20870429 0.83 TYR (0.42) PDE2AS1PR1HTR2AHTR2BHTR2C
SCHEMBL5198655 0.83 PDE2A (0.51) PDE2AHTR2AHTR2BHTR2CCYP3A4
SCHEMBL13692491 0.83 HTR2A (0.56) S1PR1HTR2AHTR2BHTR2CIDO1
SCHEMBL1228700 0.78 IDO1 (0.43) PDE2AS1PR1HTR2AHTR2BHTR2C
SCHEMBL15062087 0.78 S1PR1 (0.51) PDE2AS1PR1HTR2ACYP3A4CYP2D6
SCHEMBL441589 0.77 SLC6A4 (0.36) HTR2AHTR2CSLC6A4KCNH2
SCHEMBL451846 0.77 SLC6A4 (0.36) HTR2AHTR2CSLC6A4KCNH2
SCHEMBL10268650 0.76 KIF11 (0.46) PDE2AS1PR1HTR2ACYP3A4CYP2D6

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9249147-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2016-02-02 US disclosed
US-9249147-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2016-02-02 US disclosed
US-9249147-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2016-02-02 US disclosed
EP-2966076-A1 NOVEL TYROSINE KINASE INHIBITORS ChemBridge Corporation (US) 2016-01-13 EP disclosed
EP-2966076-A1 NOVEL TYROSINE KINASE INHIBITORS ChemBridge Corporation (US) 2016-01-13 EP disclosed
CN-102036990-B Novel tyrosine kinase inhibitors CHEMBRIDGE CORP. (US) 2015-09-30 CN disclosed
EP-2262807-B1 NOVEL TYROSINE KINASE INHIBITORS CHEMBRIDGE CORP (US) 2015-08-12 EP disclosed
EP-2262807-B1 NOVEL TYROSINE KINASE INHIBITORS CHEMBRIDGE CORP (US) 2015-08-12 EP disclosed
US-20150011539-A1 NOVEL TYROSINE KINASE INHIBITORS CHEMBRIDGE COPRPORATION 2015-01-08 US disclosed
US-20150011539-A1 NOVEL TYROSINE KINASE INHIBITORS CHEMBRIDGE COPRPORATION 2015-01-08 US disclosed
US-8815906-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2014-08-26 US disclosed
US-8815906-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2014-08-26 US disclosed
US-8815906-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2014-08-26 US disclosed
US-20130053376-A1 NOVEL TYROSINE KINASE INHIBITORS CHEMBRIDGE COPRPORATION 2013-02-28 US disclosed
US-20130053376-A1 NOVEL TYROSINE KINASE INHIBITORS CHEMBRIDGE COPRPORATION 2013-02-28 US disclosed
US-20130053376-A1 NOVEL TYROSINE KINASE INHIBITORS CHEMBRIDGE COPRPORATION 2013-02-28 US disclosed
CN-102036990-A Novel tyrosine kinase inhibitors CHEMBRIDGE CORP 2011-04-27 CN disclosed
EP-2262807-A1 NOVEL TYROSINE KINASE INHIBITORS ChemBridge Corporation (US) 2010-12-22 EP disclosed
WO-2009117097-A1 NOVEL TYROSINE KINASE INHIBITORS CHEMBRIDGE CORPORATION (US) 2009-09-24 WO disclosed
WO-2009117097-A1 NOVEL TYROSINE KINASE INHIBITORS CHEMBRIDGE CORPORATION (US) 2009-09-24 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 (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-20150011539-A1 NOVEL TYROSINE KINASE INHIBITORS ABL1, RET, TTBK1 PDE2A 1742/4885S1PR1 2366/4885HTR2A 3742/4885
US-20130053376-A1 NOVEL TYROSINE KINASE INHIBITORS ABL1, RET, TTBK1 PDE2A 1742/4885S1PR1 2366/4885HTR2A 3742/4885

“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.