SCHEMBL214206

SCHEMBL214206

CCNC(=O)N1CCN(c2ccc(N(C(=O)c3nc[nH]c3C(N)=O)c3nc4ccccc4[nH]3)c(C)c2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.37
ADRA2C P18825 1/20 0.37
DRD4 P21917 1/20 0.37
HTR2A P28223 1/20 0.37
GFER P55789 1/20 0.35
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALK Q9UM73 3/20 0.34
JUN P05412 2/20 0.34
MAPK8 P45983 2/20 0.34
MAPK9 P45984 2/20 0.34
MAPK10 P53779 1/20 0.34
USP2 O75604 3/20 0.34
MAPK1 P28482 2/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 2/20 0.33
ALDH1A1 P00352 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
SCHEMBL215214 0.91 KDM4E (0.41) KDM4ETDP1USP2MAPK1LMNA
SCHEMBL214964 0.88 DRD4 (0.39) HTR1AADRA2CDRD4HTR2AKDM4E
SCHEMBL214453 0.88 ALDH1A1 (0.37) HTR1AADRA2CDRD4HTR2AKDM4E
SCHEMBL214367 0.87 FAAH (0.40) HTR1AADRA2CDRD4HTR2ATDP1
Hydrochloric Acid SCHEMBL214494 0.87 ALDH1A1 (0.36) HTR1AADRA2CDRD4HTR2AKDM4E
SCHEMBL216124 0.85 PTGDR (0.40) HTR1AADRA2CDRD4HTR2AKDM4E
SCHEMBL217227 0.81 POLB (0.37) KDM4ETDP1USP2LMNAMAPT
SCHEMBL213623 0.80 MAP2 (0.36) KDM4ETDP1SMN1; SMN2
SCHEMBL214715 0.79 POLB (0.40) KDM4ETDP1MAPK10LMNAHTT
SCHEMBL213394 0.78 POLB (0.48) KDM4EMAPK10LMNAMAPTALDH1A1

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 HTR1A 3143/4885ADRA2C 1974/4885DRD4 4642/4885

“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.