SCHEMBL214016

SCHEMBL214016

COc1cccc2[nH]c(NC(=O)c3[nH]cnc3C(=O)Nc3c(Cl)cccc3Cl)nc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.57
ADORA2A P29274 2/20 0.57
ALDH1A1 P00352 5/20 0.53
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
HPGD P15428 2/20 0.53
CYP1A2 P05177 1/20 0.53
SMN1; SMN2 Q16637 5/20 0.48
ADORA2B P29275 1/20 0.47
ADORA1 P30542 1/20 0.47
MAPK1 P28482 1/20 0.45
MAPK10 P53779 1/20 0.45
HSD17B10 Q99714 1/20 0.45
RXFP1 Q9HBX9 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
HSP90AA1 P07900 1/20 0.43
PKM P14618 1/20 0.43
PAX8 Q06710 1/20 0.43

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
SCHEMBL14222709 0.86 MAOB (0.54) MAOBADORA2AALDH1A1KMT2AMEN1
SCHEMBL2735344 0.83 NPC1 (0.52) MAOBADORA2AALDH1A1KMT2AMEN1
SCHEMBL2735378 0.82 RAB9A (0.60) MAOBADORA2AALDH1A1KMT2AMEN1
SCHEMBL2735432 0.80 ALDH1A1 (0.53) MAOBADORA2AALDH1A1KMT2AMEN1
SCHEMBL2735361 0.80 ALDH1A1 (0.53) MAOBADORA2AALDH1A1KMT2AMEN1
SCHEMBL214721 0.80 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1HPGDCYP1A2
SCHEMBL2735345 0.79 RAB9A (0.56) MAOBADORA2AALDH1A1KMT2AMEN1
SCHEMBL2759975 0.79 SMN1; SMN2 (0.50) MAOBADORA2AALDH1A1KMT2AMEN1
SCHEMBL2735362 0.79 NPC1 (0.55) MAOBADORA2AALDH1A1KMT2AMEN1
SCHEMBL2735356 0.78 IRAK4 (0.50) MAOBADORA2AALDH1A1KMT2AMEN1

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 12 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 claimed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US claimed
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP claimed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 WO claimed
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

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 MAOB 3387/4885ADORA2A 1356/4885ALDH1A1 4295/4885

“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.