SCHEMBL215550

SCHEMBL215550

Cc1ccc(N(C(=O)c2nc[nH]c2C(N)=O)c2nc3cc(Cl)ccc3[nH]2)c(C)c1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP2 P11137 5/20 0.34
JAK2 O60674 3/20 0.33
MAPT P10636 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
MEN1 O00255 1/20 0.33
CYP2C9 P11712 1/20 0.33
KMT2A Q03164 1/20 0.33
KMO O15229 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HRH4 Q9H3N8 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HIF1A Q16665 1/20 0.31
GRM2 Q14416 1/20 0.31
LMNA P02545 2/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL217227 0.88 POLB (0.37) MAPTCYP1A2CYP2C19MEN1KMT2A
SCHEMBL213623 0.83 MAP2 (0.36) MAP2JAK2KDM4EHRH4SMN1; SMN2
SCHEMBL214939 0.83 POLB (0.36) MAP2JAK2MAPTMEN1KMT2A
SCHEMBL216235 0.82 KDM4E (0.38) MAPTCYP1A2CYP2C19CYP2C9KDM4E
SCHEMBL216492 0.81 POLB (0.37) MAPTCYP1A2CYP2C19MEN1KMT2A
SCHEMBL215085 0.80 GRM2 (0.35) MAP2JAK2MAPTMEN1KMT2A
SCHEMBL214964 0.80 DRD4 (0.39) MAP2MAPTMEN1KMT2AKDM4E
SCHEMBL215204 0.79 KMT2A (0.37) MAP2MAPTMEN1KMT2AKDM4E
SCHEMBL214152 0.79 ALDH1A1 (0.38) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL214715 0.78 POLB (0.40) CYP1A2CYP2C19KMT2AKDM4ESMN1; SMN2

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 MAP2 730/4885JAK2 1/4885MAPT 2138/4885

“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.