SCHEMBL2511082

SCHEMBL2511082

CCCCN1Cc2cc(NCc3c(N4CCOCC4)ccnc3C)ccc2C1=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.41
ALDH1A1 P00352 3/20 0.37
MTOR P42345 1/20 0.37
GAA P10253 5/20 0.36
HDAC6 Q9UBN7 1/20 0.36
IRAK4 Q9NWZ3 4/20 0.35
KDM4E B2RXH2 3/20 0.35
HSD17B10 Q99714 3/20 0.35
ALOX15 P16050 1/20 0.35
CCR2 P41597 1/20 0.35
RAF1 P04049 2/20 0.35
BRAF P15056 2/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
IDH1 O75874 1/20 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
SCHEMBL2510417 0.84 PIK3CA (0.42) PIK3CAALDH1A1MTORGAAIRAK4
SCHEMBL2509815 0.82 BRD4 (0.41) PIK3CAALDH1A1MTORGAAHDAC6
SCHEMBL2511407 0.78 HDAC6 (0.41) PIK3CAGAAHDAC6KDM4ECCR2
SCHEMBL2510563 0.77 IDH1 (0.38) GAAHDAC6KDM4ECCR2IDH1
SCHEMBL2510813 0.76 BRD9 (0.40) PIK3CAGAAHDAC6
SCHEMBL2511462 0.73 CRBN (0.36) GAAHDAC6IRAK4CCR2KMT2A
SCHEMBL2509389 0.73 PIK3CA (0.44) PIK3CAALDH1A1MTORHDAC6KDM4E
SCHEMBL2512018 0.72 BRD9 (0.38) PIK3CAALDH1A1GAAKDM4EALOX15
SCHEMBL2513409 0.72 HDAC6 (0.39) PIK3CAALDH1A1GAAHDAC6KDM4E
SCHEMBL2510555 0.72 HDAC6 (0.40) PIK3CAALDH1A1GAAHDAC6KDM4E

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 PIK3CA 3991/4885ALDH1A1 3809/4885MTOR 4585/4885

“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.