SCHEMBL16159178

SCHEMBL16159178

c1ncc(-c2ccc(-c3ccc4cc(-c5ccc(-c6cncs6)nc5)ccc4c3)cn2)s1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.43
DYRK1A Q13627 8/20 0.40
DYRK2 Q92630 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
GSK3B P49841 6/20 0.39
WNT1 P04628 5/20 0.39
CYP11B1 P15538 3/20 0.39
CYP11B2 P19099 3/20 0.39
CYP19A1 P11511 2/20 0.39
CYP17A1 P05093 1/20 0.39
MAPT P10636 1/20 0.38
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
KDR P35968 1/20 0.38
CHEK1 O14757 1/20 0.37
CHEK2 O96017 1/20 0.37
CLK2 P49760 1/20 0.36
ALOX5AP P20292 1/20 0.36
MYC P01106 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
SCHEMBL16159424 0.82 PIM1 (0.42) PIM1CYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL17704333 0.82 PIM1 (0.49) PIM1DYRK1ADYRK2DYRK1BHSD17B1
SCHEMBL16159815 0.80 PIM1 (0.53) PIM1DYRK1ADYRK2DYRK1BHSD17B1
SCHEMBL16159853 0.80 DYRK1A (0.46) DYRK1ADYRK2DYRK1BGSK3BWNT1
SCHEMBL26260195 0.79 DYRK1A (0.49) DYRK1ADYRK2DYRK1BGSK3BWNT1
SCHEMBL16159450 0.79 PIM1 (0.38) PIM1DYRK1ADYRK2DYRK1BGSK3B
SCHEMBL12601804 0.78 DYRK1A (0.60) PIM1DYRK1ADYRK2DYRK1BCYP19A1
SCHEMBL16159822 0.78 PIM1 (0.39) PIM1DYRK1AGSK3BWNT1MAPT
SCHEMBL16159220 0.76 DYRK1A (0.41) PIM1DYRK1ADYRK2DYRK1BCYP11B1
SCHEMBL16159442 0.75 PIM1 (0.41) PIM1DYRK1ADYRK2DYRK1BHSD17B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160118598-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME JNC CORPORATION (JP) 2016-04-28 US disclosed
US-20160118598-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME JNC CORPORATION (JP) 2016-04-28 US disclosed
WO-2014163173-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME JNC株式会社 (JP) 2014-10-09 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 (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-20160118598-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME HVCN1, VDAC1, SLC26A3 PIM1 2642/4885DYRK1A 3602/4885DYRK2 3520/4885

“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.