SCHEMBL214609

SCHEMBL214609

Cc1ccc(Br)cc1-n1cnc(C(N)=O)c1C(=O)Nc1nc2c(Cl)cccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.46
ADORA2A P29274 2/20 0.46
ADORA2B P29275 1/20 0.46
ADORA1 P30542 1/20 0.46
ROCK2 O75116 1/20 0.38
PARP1 P09874 4/20 0.36
CDK12 Q9NYV4 2/20 0.36
PARP2 Q9UGN5 2/20 0.36
RAB9A P51151 3/20 0.36
MEN1 O00255 2/20 0.36
NPC1 O15118 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
ABL1 P00519 1/20 0.35
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDR P35968 2/20 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
SCHEMBL215374 0.86 ABL1 (0.37) RAB9AMEN1NPC1KMT2AKDM4E
SCHEMBL214926 0.84 RAB9A (0.37) RAB9AMEN1NPC1KMT2AKDM4E
SCHEMBL216216 0.84 MAP4K4 (0.39) MAOBADORA2APARP1CDK12PARP2
SCHEMBL214498 0.83 MAOB (0.36) MAOBADORA2APARP1CDK12PARP2
SCHEMBL214637 0.83 MAOB (0.49) MAOBADORA2APARP1CDK12PARP2
SCHEMBL213884 0.82 HCAR1 (0.33) RAB9AMEN1NPC1KMT2AKDM4E
SCHEMBL215845 0.81 IRAK4 (0.39) RAB9AMEN1NPC1KMT2AKDM4E
SCHEMBL214517 0.81 RAB9A (0.37) RAB9AMEN1NPC1KMT2AKDM4E
SCHEMBL215330 0.79 ALDH1A1 (0.46) RAB9AMEN1NPC1KMT2AKDM4E
SCHEMBL213991 0.79 GABRG2 (0.31)

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 6 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
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
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 1356/4885ADORA2B 1764/4885

“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.