SCHEMBL214557

SCHEMBL214557

Cc1cc(NC(=O)c2c(C(N)=O)ncn2-c2nc3ccccc3[nH]2)c(Cl)cc1OCCCN1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.40
SIRT1 Q96EB6 1/20 0.37
MAPT P10636 2/20 0.36
EGFR P00533 3/20 0.35
LMNA P02545 1/20 0.35
HTR2C P28335 1/20 0.35
TRPV4 Q9HBA0 1/20 0.34
EPHX2 P34913 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
KDR P35968 3/20 0.33
DRD2 P14416 2/20 0.33
DRD3 P35462 2/20 0.33
SRC P12931 1/20 0.33

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
SCHEMBL216182 0.88 DRD3 (0.41) LCKSIRT1MAPTDRD2DRD3
Hydrochloric Acid SCHEMBL215262 0.88 ITGB3 (0.41) LCKSIRT1DRD2DRD3
SCHEMBL213455 0.79 EGLN1 (0.42) SIRT1MAPTLMNA
SCHEMBL214558 0.79 MEN1 (0.39) SIRT1MAPT
SCHEMBL2735427 0.79 MEN1 (0.39) SIRT1MAPT
SCHEMBL214470 0.76 KDM1A (0.44) MAPTLMNA
SCHEMBL214895 0.76 MAPT (0.41) MAPTLMNA
SCHEMBL214143 0.76 KDM1A (0.42) MAPTLMNA
SCHEMBL214697 0.76 KDM1A (0.42) MAPT
Hydrochloric Acid SCHEMBL213798 0.76 KDM1A (0.43) MAPTLMNA

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 LCK 26/4885SIRT1 4299/4885MAPT 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.