SCHEMBL12005486

SCHEMBL12005486

C=CCOc1cccc(N=C=O)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIG1 P18858 1/20 0.41
TSHR P16473 2/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2A6 P11509 1/20 0.40
GAA P10253 2/20 0.38
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL4341836 0.84 HPGD (0.47) LIG1TSHRHPGDMAPK1HSD17B10
SCHEMBL9918943 0.82 CYP3A4 (0.54) LIG1TSHRHPGDMAPK1HSD17B10
SCHEMBL27700899 0.80 CYP3A4 (0.46) HPGDCYP3A4CYP2A6GAANPC1
SCHEMBL5644779 0.77 TSHR (0.54) TSHRHPGDMAPK1HSD17B10CYP3A4
SCHEMBL9529565 0.75 PPOX (0.39) TSHRHPGDMAPK1HSD17B10GAA
SCHEMBL3548169 0.74 CYP3A4 (0.50) HPGDMAPK1HSD17B10CYP3A4CA12
SCHEMBL11179875 0.74 HTR2C (0.47) LIG1TSHRHPGDMAPK1HSD17B10
SCHEMBL2527161 0.73 MAPT (0.43) LIG1TSHRHPGDMAPK1HSD17B10
SCHEMBL58545 0.73 CYP3A4 (0.60) TSHRHPGDMAPK1HSD17B10CYP3A4
SCHEMBL2522004 0.72 HPGD (0.47) LIG1TSHRHPGDMAPK1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2681221-B1 TRICYCLIC INHIBITORS OF KINASES ABBVIE INC (US) 2016-05-18 EP disclosed
US-8710065-B2 Tricyclic inhibitors of kinases ABBVIE INC. (US) 2014-04-29 US disclosed
EP-2681221-A1 TRICYCLIC INHIBITORS OF KINASES AbbVie Inc. (US) 2014-01-08 EP disclosed
WO-2012161812-A1 TRICYCLIC INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2012-11-29 WO disclosed
US-20120220572-A1 TRICYCLIC INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2012-08-30 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-20120220572-A1 TRICYCLIC INHIBITORS OF KINASES WEE1, WEE2, CDK1 LIG1 1739/4885TSHR 3051/4885HPGD 2475/4885

“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.