SCHEMBL10088508

SCHEMBL10088508

OCc1ccc(-n2cccn2)cc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.47
NOTUM Q6P988 8/20 0.45
TNIK Q9UKE5 1/20 0.42
SOS1 Q07889 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 2/20 0.39
DGAT1 O75907 2/20 0.38
SCN9A Q15858 1/20 0.37
PARP1 P09874 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
G6PD P11413 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
SCHEMBL7091177 0.87 LMNA (0.44) PDK2NOTUMTNIKSOS1KDM4E
SCHEMBL22380080 0.85 NOTUM (0.42) PDK2NOTUMKDM4EALDH1A1MAPK1
SCHEMBL14350243 0.82 CHRM1 (0.47) PDK2NOTUMKDM4EALDH1A1MAPK1
SCHEMBL15012399 0.79 NOTUM (0.64) PDK2NOTUMTNIKSOS1KDM4E
SCHEMBL13122732 0.79 PDK2 (0.46) PDK2NOTUMTNIKSOS1KDM4E
SCHEMBL5066771 0.78 PDK2 (0.46) PDK2NOTUMTNIKSOS1KDM4E
SCHEMBL10088530 0.76 VHL (0.47) NOTUMKDM4EALDH1A1MAPK1MEN1
SCHEMBL25173729 0.76 NOTUM (0.45) PDK2NOTUMKDM4EALDH1A1MAPK1
SCHEMBL3365354 0.76 NOTUM (0.45) PDK2NOTUMKDM4EALDH1A1MAPK1
SCHEMBL7091332 0.75 SCN9A (0.52) SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF ASTELLAS PHARMA INC. (JP) 2012-07-12 US disclosed
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF ASTELLAS PHARMA INC. (JP) 2012-07-12 US disclosed
US-8193378-B2 2H-chromene compound and derivative thereof ASTELLAS PHARMA INC. (JP) 2012-06-05 US disclosed
US-8193378-B2 2H-chromene compound and derivative thereof ASTELLAS PHARMA INC. (JP) 2012-06-05 US disclosed
US-20110230463-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF ASTELLAS PHARMA INC. (JP) 2011-09-22 US disclosed
US-20110230463-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF ASTELLAS PHARMA INC. (JP) 2011-09-22 US disclosed
WO-2010064707-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF アステラス製薬株式会社 (JP) 2010-06-10 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-20110230463-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, CCR1 PDK2 955/4885NOTUM 1923/4885TNIK 2979/4885
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, S1PR4 PDK2 549/4885NOTUM 2819/4885TNIK 2869/4885

“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.