SCHEMBL678058

SCHEMBL678058

Cc1cc(Cl)c(-n2nc(C#N)c(SC(F)F)c2NCc2ccccn2)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.38
ALDH1A1 P00352 8/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
RAB9A P51151 6/20 0.36
HPGD P15428 2/20 0.36
GAA P10253 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.36
P2RX3 P56373 1/20 0.36
P2RX2 Q9UBL9 1/20 0.36
MAPT P10636 6/20 0.35
NPSR1 Q6W5P4 4/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NPC1 O15118 4/20 0.35
HSD17B10 Q99714 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PDE5A O76074 2/20 0.34
MAP3K8 P41279 2/20 0.34

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 SCHEMBL27011 0.89 GABRP (0.41) KDM4EALDH1A1KMT2AMEN1RAB9A
Pyriprole SCHEMBL29422238 0.89 GABRP (0.41) KDM4EALDH1A1KMT2AMEN1RAB9A
SCHEMBL16116607 0.88 VNN1 (0.31)
SCHEMBL682367 0.85 IL1B (0.42) KDM4EALDH1A1KMT2AMEN1RAB9A
SCHEMBL38664112 0.82 NPC1 (0.36) KDM4EALDH1A1KMT2AMEN1RAB9A
Pyriprole SCHEMBL19032727 0.81 GABRP (0.35) KMT2AMEN1RAB9ALMNANPC1
SCHEMBL4855148 0.81 GABRP (0.41) ALDH1A1KMT2AMEN1RAB9ALMNA
SCHEMBL14208660 0.79 GABRP (0.39) KDM4EALDH1A1KMT2AMEN1RAB9A
SCHEMBL14208642 0.79 GABRP (0.39) ALDH1A1KMT2AMEN1RAB9ALMNA
SCHEMBL16118103 0.78 GABRB3 (0.41) LMNASMN1; SMN2CYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160044921-A1 SYNERGISTIC ACTIVE INGREDIENT COMBINATIONS BAYER CROPSCIENCE AG (DE) 2016-02-18 US disclosed
US-20110275583-A1 Synergistic active compound combinations BAYER CROPSCIENCE AG (DE) 2011-11-10 US disclosed
US-20110124588-A1 SYNERGISTIC ACTIVE INGREDIENT COMBINATIONS BAYER CROPSCIENCE AG (DE) 2011-05-26 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 (3 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-20160044921-A1 SYNERGISTIC ACTIVE INGREDIENT COMBINATIONS ACHE, ACAT2, ACAT1 KDM4E 3316/4885ALDH1A1 1248/4885KMT2A 3793/4885
US-20110124588-A1 SYNERGISTIC ACTIVE INGREDIENT COMBINATIONS ACHE, ACAT2, ACAT1 KDM4E 3316/4885ALDH1A1 1248/4885KMT2A 3793/4885
US-20110275583-A1 Synergistic active compound combinations ACHE, ACAT2, ACAT1 KDM4E 3985/4885ALDH1A1 1772/4885KMT2A 3689/4885

“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.