SCHEMBL215705

SCHEMBL215705

COc1cccc2[nH]c(N)nc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.54
ALDH1A1 P00352 2/20 0.54
TP53 P04637 1/20 0.54
CYP2D6 P10635 1/20 0.54
HPGD P15428 1/20 0.54
ALOX15 P16050 1/20 0.54
CYP2C19 P33261 1/20 0.54
CBFB Q13951 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HSD17B10 Q99714 1/20 0.54
MCHR1 Q99705 1/20 0.50
MAOB P27338 1/20 0.49
ADORA2A P29274 1/20 0.49
HPSE Q9Y251 2/20 0.48
NUDT1 P36639 4/20 0.47
TDP1 Q9NUW8 1/20 0.47
PARP1 P09874 2/20 0.45
NQO2 P16083 1/20 0.44
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44

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
SCHEMBL1170818 0.81 CBFB (0.69) CYP3A4ALDH1A1TP53CYP2D6HPGD
SCHEMBL213419 0.81 DRD2 (0.44) CYP3A4ALDH1A1TP53CYP2D6HPGD
SCHEMBL1038475 0.80 PLAUR (0.50) CYP3A4ALDH1A1TP53CYP2D6HPGD
SCHEMBL4611125 0.80 ALDH1A1 (0.55) CYP3A4ALDH1A1TP53CYP2D6HPGD
SCHEMBL4420446 0.80 ALDH1A1 (0.55) CYP3A4ALDH1A1TP53CYP2D6HPGD
SCHEMBL11708839 0.80 NUDT1 (0.50) CYP3A4ALDH1A1TP53CYP2D6HPGD
SCHEMBL6935068 0.79 ALDH1A1 (0.54) CYP3A4ALDH1A1TP53CYP2D6HPGD
SCHEMBL941420 0.79 HPGD (0.54) CYP3A4ALDH1A1TP53CYP2D6HPGD
SCHEMBL6650618 0.79 CYP3A4 (0.54) CYP3A4ALDH1A1TP53CYP2D6HPGD
SCHEMBL716477 0.79 CBFB (0.54) CYP3A4ALDH1A1TP53CYP2D6HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP disclosed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 WO disclosed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 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 (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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 CYP3A4 3666/4885ALDH1A1 4295/4885TP53 1743/4885

“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.