SCHEMBL4097982

SCHEMBL4097982

CCN(c1nc(-c2c(F)cccc2OCCOC)c2[nH]ncc2n1)c1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
HPGD P15428 1/20 0.33
MAP4K1 Q92918 1/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
RXFP1 Q9HBX9 1/20 0.31
TIPARP Q7Z3E1 1/20 0.30
ROCK2 O75116 1/20 0.30
ROCK1 Q13464 1/20 0.30
HTT P42858 1/20 0.30
CRHR1 P34998 1/20 0.30
MRGPRX4 Q96LA9 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
SCHEMBL4101015 0.94 MAP4K1 (0.32) HPGDMAP4K1MRGPRX4
SCHEMBL4098135 0.93 MAP4K1 (0.32) HPGDMAP4K1MRGPRX4
SCHEMBL4096513 0.92 HRH4 (0.35) HPGDMAP4K1MEN1ALDH1A1POLB
SCHEMBL4098134 0.92 MAP4K1 (0.33) HPGDMAP4K1CRHR1MRGPRX4
SCHEMBL4091530 0.92 MAP4K1 (0.38) HPGDMAP4K1MAPTROCK2ROCK1
SCHEMBL4101972 0.89 CRHR1 (0.33) KDM4ECRHR1
SCHEMBL4096474 0.89 MAP4K1 (0.31) MAP4K1MRGPRX4
SCHEMBL4106573 0.88 TRPA1 (0.34) MAP4K1
SCHEMBL4102485 0.88 CRHR1 (0.33) MAP4K1CRHR1
SCHEMBL4105401 0.87 MAPT (0.34) KDM4EHPGDMAP4K1MEN1MAPT

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 KDM4E 3600/4885HPGD 1017/4885MAP4K1 348/4885

“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.