SCHEMBL2509719

SCHEMBL2509719

COCCN1Cc2cc(NCc3c(C(F)(F)F)ccnc3Cl)ccc2C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.36
MAPK1 P28482 1/20 0.36
POLB P06746 1/20 0.35
ALDH1A1 P00352 3/20 0.34
P2RX7 Q99572 1/20 0.34
CYP3A4 P08684 1/20 0.34
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
AOC3 Q16853 2/20 0.34
ABCB1 P08183 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KIT P10721 1/20 0.34
FLT3 P36888 1/20 0.34
WDR5 P61964 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
KDR P35968 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
SCHEMBL2511462 0.89 CRBN (0.36) IDH1KITFLT3WDR5KMT2A
SCHEMBL2511909 0.86 ALDH1A1 (0.40) MAPK1POLBALDH1A1P2RX7CYP3A4
SCHEMBL2510495 0.76 PIK3CG (0.36) MAPK1ALDH1A1P2RX7WDR5KMT2A
SCHEMBL2510563 0.76 IDH1 (0.38) IDH1KDM4EMAPTMET
SCHEMBL2507370 0.75 IDH1 (0.33) IDH1WDR5KMT2AKDR
SCHEMBL2511407 0.75 HDAC6 (0.41) IDH1KDM4EMAPT
SCHEMBL2511459 0.75 PIK3CG (0.35) IDH1P2RX7WDR5KMT2A
SCHEMBL2510811 0.74 PIK3CG (0.37) P2RX7WDR5KMT2A
SCHEMBL2508796 0.73 PIK3CG (0.45) P2RX7WDR5KMT2A
SCHEMBL2511620 0.70 CRBN (0.37) KITFLT3

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-8664214-B2 Small molecule potentiators of metabotropic glutamate receptors I AbbVie Deutschland GmbH & Co. KG (DE) 2014-03-04 US claimed
US-8664214-B2 Small molecule potentiators of metabotropic glutamate receptors I AbbVie Deutschland GmbH & Co. KG (DE) 2014-03-04 US disclosed
US-20110245232-A1 NOVEL SMALL MOLECULE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS I ABBOTT GMBH & CO. KG (DE) 2011-10-06 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-20110245232-A1 NOVEL SMALL MOLECULE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS I GRM3, GRIN2C, GRIN2B IDH1 1460/4885MAPK1 2859/4885POLB 2237/4885

“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.