SCHEMBL4100808

SCHEMBL4100808

CCN(c1nc(-c2c(F)cccc2OCCOC2CCCCO2)c2nn(Cc3ccc(OC)cc3)cc2n1)c1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MET P08581 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
TP53 P04637 1/20 0.30
KDM4C Q9H3R0 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
SCHEMBL4099005 0.86 TP53 (0.35) TP53
SCHEMBL4101858 0.81 L3MBTL1 (0.35) NPC1RAB9AL3MBTL1KDM4C
SCHEMBL4101183 0.78 TP53 (0.35) TP53
SCHEMBL4090468 0.75 MAPT (0.39) NPC1RAB9ATP53
SCHEMBL4102167 0.72 TP53 (0.37) TP53
SCHEMBL4105507 0.72 GRIN1 (0.42)
SCHEMBL4102486 0.70 MAPT (0.34) TP53
SCHEMBL4096300 0.70 P2RX7 (0.37) TP53
SCHEMBL4097982 0.69 KDM4E (0.33)
SCHEMBL4098135 0.67 MAP4K1 (0.32)

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 NPC1 1996/4885RAB9A 1821/4885MET 434/4885

“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.