SCHEMBL5447381

SCHEMBL5447381

FC(F)(F)c1ccnc(-c2c(Cl)nc3nc(C4CC4)nn3c2Cl)n1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 4/20 0.35
IDH2 P48735 2/20 0.35
RBP4 P02753 1/20 0.33
P2RX7 Q99572 2/20 0.32
NR1H4 Q96RI1 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA3 P34903 1/20 0.32
HTR2C P28335 3/20 0.31
HTR2A P28223 2/20 0.31
HTR2B P41595 2/20 0.31
MALT1 Q9UDY8 3/20 0.31
ADRB1 P08588 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
KCNH2 Q12809 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
SCHEMBL14430549 0.77 TRPV1 (0.36) RBP4P2RX7
SCHEMBL3713355 0.72 HTR2A (0.33) HTR2CHTR2AHTR2B
SCHEMBL10279750 0.72 PDE4D (0.42)
SCHEMBL5439370 0.69 PDE10A (0.31)
SCHEMBL17710264 0.67 RBP4 (0.43) IDH1IDH2RBP4HTR2CHTR2A
SCHEMBL5447564 0.66 MEN1 (0.30)
SCHEMBL28234526 0.62 RBP4 (0.42) IDH1IDH2RBP4HTR2CHTR2A
SCHEMBL20094342 0.61 XPO1 (0.35) RBP4MALT1CYP3A4CYP2C9CYP2C19
SCHEMBL15094782 0.60 IDH1 (0.48) IDH1IDH2P2RX7GABRA1GABRG2
SCHEMBL5444175 0.59 TRPV1 (0.35) P2RX7HTR2B

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-20070179295-A1 Triazolopyrimidines BAYER CROPSCIENCE AG (DE) 2007-08-02 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-20070179295-A1 Triazolopyrimidines QDPR, DPYD, CYP1B1 IDH1 328/4885IDH2 304/4885RBP4 3044/4885

“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.