SCHEMBL17997985

SCHEMBL17997985

Brc1ccc2c(c1)nc(-c1ccccc1)c1ccc3cccnc3c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
DCLK1 O15075 1/20 0.46
PRKD3 O94806 1/20 0.46
MAP4K4 O95819 1/20 0.46
CHEK2 O96017 1/20 0.46
CSF1R P07333 1/20 0.46
FER P16591 1/20 0.46
CDK2 P24941 1/20 0.46
MARK3 P27448 1/20 0.46
FLT4 P35916 1/20 0.46
FLT3 P36888 1/20 0.46
MAPK9 P45984 1/20 0.46
CSNK1D P48730 1/20 0.46
CLK2 P49760 1/20 0.46
CSNK2A1 P68400 1/20 0.46
CSNK1G2 P78368 1/20 0.46
MAP4K2 Q12851 1/20 0.46
STK3 Q13188 1/20 0.46

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
SCHEMBL18748169 0.95 HTT (0.46) HTTCYP1A2CYP2C19DCLK1PRKD3
SCHEMBL17997980 0.90 BIRC5 (0.41) HTTCYP1A2CYP2C19DCLK1PRKD3
SCHEMBL17997971 0.88 LMNA (0.42) HTTCYP1A2CYP2C19DCLK1PRKD3
SCHEMBL18748159 0.84 AKR1B10 (0.40) HTTCYP1A2CYP2C19DCLK1PRKD3
SCHEMBL17997935 0.84 WHR1 (0.41) HTTL3MBTL1ATMKMT2ALMNA
SCHEMBL17997983 0.83 LMNA (0.36) HTTDCLK1PRKD3MAP4K4CHEK2
SCHEMBL19051832 0.83 DCLK1 (0.47) HTTCYP1A2CYP2C19DCLK1PRKD3
SCHEMBL18748168 0.83 BIRC5 (0.41) HTTCYP1A2CYP2C19DCLK1PRKD3
SCHEMBL20240269 0.82 PRNP (0.49) HTTCYP1A2CYP2C19DCLK1PRKD3
SCHEMBL17997895 0.81 MEN1 (0.49) HTTCYP1A2CLK4L3MBTL1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160233434-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-08-11 US disclosed
US-20160233434-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-08-11 US 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-20160233434-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME LEF1, OR51E2, OR10J3 HTT 4750/4885CYP1A2 17/4885CYP2C19 41/4885

“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.