SCHEMBL4095782

SCHEMBL4095782

CCN(c1nc(C(CC)(C(=O)O)c2cccnc2)c2[nH]ncc2n1)c1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 5/20 0.34
NR1H3 Q13133 5/20 0.34
RORC P51449 3/20 0.33
CYP19A1 P11511 1/20 0.33
CRHR1 P34998 1/20 0.32
POLQ O75417 1/20 0.31
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
TSHR P16473 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
SCHEMBL4095778 0.79 CRHR1 (0.36) RORCCYP19A1CRHR1POLQMEN1
SCHEMBL4095773 0.79 PDE2A (0.38) RORCCYP19A1CRHR1MEN1KMT2A
SCHEMBL4101822 0.79 CACNA1H (0.35) NR1H2NR1H3POLBMEN1KMT2A
SCHEMBL4095982 0.76 CYP3A4 (0.35) NR1H2NR1H3RORCLMNA
SCHEMBL4107196 0.74 RXFP1 (0.38) NR1H2NR1H3CRHR1
SCHEMBL4102310 0.73 CRHR1 (0.33) NR1H2NR1H3CRHR1
SCHEMBL4107183 0.73 CRHR1 (0.35) NR1H2NR1H3CRHR1
SCHEMBL4101972 0.73 CRHR1 (0.33) NR1H2NR1H3CRHR1
SCHEMBL4090226 0.72 METAP2 (0.37) NR1H2NR1H3CRHR1LMNAGAA
SCHEMBL4095952 0.72 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 2 patents. 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
EP-1903045-A1 PYRAZOLOPYRIMIDINE DERIVATIVE Mitsubishi Tanabe Pharma Corporation (JP) 2008-03-26 EP 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 NR1H2 389/4885NR1H3 576/4885RORC 2511/4885

“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.