SCHEMBL4091836

SCHEMBL4091836

CCN(c1nc(-c2cccc3cccnc23)c2[nH]nc(N)c2n1)c1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 4/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
KDR P35968 1/20 0.31
MAPT P10636 1/20 0.31
NFKBIA P25963 1/20 0.31
RELA Q04206 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
CRHR1 P34998 1/20 0.31
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30
KDM4E B2RXH2 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MCL1 Q07820 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
SCHEMBL4108419 0.91 CRHR1 (0.33) SLC40A1PDE4APDE4BPDE4CPDE4D
SCHEMBL4105491 0.90 CRHR1 (0.35) SLC40A1PDE4APDE4BPDE4CPDE4D
SCHEMBL4096878 0.87 SLC40A1 (0.35) SLC40A1PDE4APDE4BPDE4CPDE4D
SCHEMBL4090226 0.85 METAP2 (0.37) SLC40A1PDE4APDE4BPDE4CPDE4D
SCHEMBL4710336 0.79 SLC40A1 (0.34) SLC40A1NFKBIARELANR1H2NR1H3
SCHEMBL4708043 0.77 CRHR1 (0.32) SLC40A1PDE4APDE4BPDE4CPDE4D
SCHEMBL4101998 0.72 HPGD (0.35) NR1H2NR1H3CRHR1
SCHEMBL4107196 0.71 RXFP1 (0.38) NR1H2NR1H3CRHR1
SCHEMBL4107183 0.70 CRHR1 (0.35) NR1H2NR1H3CRHR1
SCHEMBL4095952 0.70 CRHR1 (0.41) CRHR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090234117-A1 Pyrazolopyrimidine Derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-09-17 US 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-20090234117-A1 Pyrazolopyrimidine Derivative MC2R, CRHR1, AVPR2 SLC40A1 1254/4885PDE4A 985/4885PDE4B 1164/4885

“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.