SCHEMBL2399011

SCHEMBL2399011

Brc1ccc2ncc3c(c2c1)C(Br)N(Cc1ccccc1)N3

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.40
▸ GABRG2 P18507 1/20 0.40
▸ GABRB3 P28472 1/20 0.40
▸ GABRA5 P31644 1/20 0.40
▸ GABRA3 P34903 1/20 0.40
▸ GABRA2 P47869 1/20 0.40
▸ GABRA6 Q16445 1/20 0.40
▸ HTT P42858 4/20 0.40
▸ LMNA P02545 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ CCNC P24863 1/20 0.38
▸ CDK8 P49336 1/20 0.38
▸ PIK3CD O00329 1/20 0.38
▸ PIK3R1 P27986 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MEN1 O00255 1/20 0.35

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
SCHEMBL12266572 0.68 HTT (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1558910 0.68 LMNA (0.45) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1558176 0.67 RECQL (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1559545 0.65 LMNA (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1500148 0.64 GRK2 (0.65) GRK2GRK5GRK1
SCHEMBL29723994 0.64 GRK2 (0.65) GRK2GRK5GRK1
SCHEMBL13917362 0.63 HTT (0.45) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL3714561 0.61 ALDH1A1 (0.52) GABRA1GABRA5HTTLMNASMN1; SMN2
SCHEMBL12345536 0.60 HTT (0.45) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL18177905 0.59 HTT (0.70) HTTLMNASMN1; SMN2HIF1AKMT2A

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-20110212053-A1 PHOSPHATIDYLINOSITOL 3 KINASE INHIBITORS PROGENICS PHARMACEUTICALS, INC. 2011-09-01 — — 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-20110212053-A1 PHOSPHATIDYLINOSITOL 3 KINASE INHIBITORS PIK3CA, AKT1, PIK3R5 GABRA1 3381/4885GABRG2 3437/4885GABRB3 3370/4885

“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.

Send feedback