SCHEMBL214964

SCHEMBL214964

Cc1cc(N2CCN(c3ccc(Cl)cc3)CC2)ccc1N(C(=O)c1nc[nH]c1C(N)=O)c1nc2ccccc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.39
CHEK2 O96017 2/20 0.37
HTR1A P08908 1/20 0.37
ADRA2C P18825 1/20 0.37
HTR2A P28223 1/20 0.37
LMNA P02545 3/20 0.37
MAPT P10636 3/20 0.36
USP2 O75604 2/20 0.36
MAPK1 P28482 2/20 0.36
PKM P14618 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
MAP2 P11137 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALOX15 P16050 1/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KMT2A Q03164 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
SCHEMBL214367 0.92 FAAH (0.40) DRD4HTR1AADRA2CHTR2AMAPT
SCHEMBL214453 0.91 ALDH1A1 (0.37) DRD4CHEK2HTR1AADRA2CHTR2A
Hydrochloric Acid SCHEMBL214494 0.90 ALDH1A1 (0.36) DRD4CHEK2HTR1AADRA2CHTR2A
SCHEMBL214206 0.88 HTR1A (0.37) DRD4HTR1AADRA2CHTR2ALMNA
SCHEMBL216124 0.88 PTGDR (0.40) DRD4HTR1AADRA2CHTR2ALMNA
SCHEMBL215214 0.88 KDM4E (0.41) LMNAMAPTUSP2MAPK1TSHR
SCHEMBL214939 0.84 POLB (0.36) CHEK2MAPTMAP2KDM4ETDP1
SCHEMBL217227 0.83 POLB (0.37) LMNAMAPTUSP2PKMHTT
SCHEMBL213623 0.82 MAP2 (0.36) MAP2SMN1; SMN2KDM4ETDP1PDGFRB
SCHEMBL214715 0.81 POLB (0.40) LMNATSHRHTTSMN1; SMN2KDM4E

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 7 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
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-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 DRD4 4642/4885CHEK2 412/4885HTR1A 3143/4885

“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.