SCHEMBL4101822

SCHEMBL4101822

CCN(c1nc(Cc2cccnc2)c2[nH]ncc2n1)c1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NR1H3 Q13133 5/20 0.33
NR1H2 P55055 4/20 0.33
NR1D1 P20393 1/20 0.33
NAMPT P43490 1/20 0.33
PSD A5PKW4 1/20 0.33
PDE2A O00408 1/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
GRIN2B Q13224 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
GRIN1 Q05586 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31

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
SCHEMBL4095782 0.79 NR1H2 (0.34) MEN1KMT2ANR1H3NR1H2POLB
SCHEMBL4107196 0.78 RXFP1 (0.38) NR1H3NR1H2PDE2ARXFP1
SCHEMBL4107183 0.77 CRHR1 (0.35) NR1H3NR1H2PDE2A
SCHEMBL4101972 0.77 CRHR1 (0.33) NR1H3NR1H2KDM4E
SCHEMBL4090226 0.77 METAP2 (0.37) NR1H3NR1H2MAPTSMN1; SMN2
SCHEMBL4095952 0.77 CRHR1 (0.41)
SCHEMBL4100749 0.76 METAP2 (0.36) NR1H3NR1H2RXFP1
SCHEMBL4102310 0.76 CRHR1 (0.33) NR1H3NR1H2RXFP1
SCHEMBL4101998 0.75 HPGD (0.35) NR1H3NR1H2RXFP1
SCHEMBL4089959 0.75 CRHR1 (0.34) NR1H3NR1H2

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 CACNA1H 2720/4885MEN1 1734/4885KMT2A 2280/4885

“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.