SCHEMBL682367

SCHEMBL682367

Cc1cc(C(F)(F)F)cc(C)c1-n1nc(C#N)c(SC(F)F)c1NCc1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL1B P01584 1/20 0.42
KDM4E B2RXH2 11/20 0.39
ALDH1A1 P00352 8/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
GAA P10253 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 6/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
P2RX3 P56373 1/20 0.34
P2RX2 Q9UBL9 1/20 0.34
NPSR1 Q6W5P4 3/20 0.33
CTSK P43235 1/20 0.33
PHGDH O43175 1/20 0.33

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
Pyriprole SCHEMBL29422238 0.90 GABRP (0.41) IL1BKDM4EALDH1A1KMT2AMEN1
Pyriprole SCHEMBL27011 0.90 GABRP (0.41) IL1BKDM4EALDH1A1KMT2AMEN1
SCHEMBL678058 0.85 KDM4E (0.38) KDM4EALDH1A1KMT2AMEN1NPC1
Pyriprole SCHEMBL19032727 0.82 GABRP (0.35) IL1BKMT2AMEN1NPC1RAB9A
SCHEMBL4855148 0.82 GABRP (0.41) IL1BALDH1A1KMT2AMEN1NPC1
SCHEMBL38664112 0.81 NPC1 (0.36) IL1BKDM4EALDH1A1KMT2AMEN1
SCHEMBL14208660 0.80 GABRP (0.39) IL1BKDM4EALDH1A1KMT2AMEN1
SCHEMBL14208642 0.80 GABRP (0.39) IL1BALDH1A1KMT2AMEN1NPC1
SCHEMBL16118103 0.79 GABRB3 (0.41) LMNACYP3A4SMN1; SMN2
SCHEMBL10026162 0.76 NPC1 (0.39) IL1BALDH1A1KMT2AMEN1NPC1

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-20110275583-A1 Synergistic active compound combinations BAYER CROPSCIENCE AG (DE) 2011-11-10 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-20110275583-A1 Synergistic active compound combinations ACHE, ACAT2, ACAT1 IL1B 3877/4885KDM4E 3985/4885ALDH1A1 1772/4885

“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.