SCHEMBL1559545

SCHEMBL1559545

Brc1ccc2ncc3c(c(Br)nn3Cc3ccccc3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.42
▸ HTT P42858 4/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ CCNC P24863 1/20 0.40
▸ CDK8 P49336 1/20 0.40
▸ 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
▸ PIK3CD O00329 1/20 0.40
▸ PIK3R1 P27986 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ MAPT P10636 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 3/20 0.40

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
SCHEMBL2395512 0.81 HTT (0.51) LMNAHTTHIF1AKMT2AMAPT
SCHEMBL12266572 0.81 HTT (0.43) LMNAHTTSMN1; SMN2CCNCCDK8
SCHEMBL2394787 0.81 PKM (0.47) LMNAHTTSMN1; SMN2KMT2AMAPT
SCHEMBL1558176 0.80 RECQL (0.46) LMNAHTTSMN1; SMN2CCNCCDK8
SCHEMBL1558910 0.75 LMNA (0.45) LMNAHTTSMN1; SMN2CCNCCDK8
SCHEMBL1559551 0.75 EGFR (0.42) LMNAMAPTALDH1A1
SCHEMBL30602811 0.70 PTGDR2 (0.46) LMNAHTTSMN1; SMN2HIF1AKMT2A
SCHEMBL1226080 0.69 CNR1 (0.58) LMNASMN1; SMN2HIF1AMAPTALDH1A1
SCHEMBL7526015 0.69 SLC22A12 (0.50) LMNAHTTSMN1; SMN2KMT2AMAPT
SCHEMBL1558730 0.68 GAA (0.47) SMN1; SMN2KMT2AMAPTALDH1A1KDM4E

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 4 patents. 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
US-20110212053-A1 PHOSPHATIDYLINOSITOL 3 KINASE INHIBITORS PROGENICS PHARMACEUTICALS, INC. 2011-09-01 — — US disclosed
US-20110212053-A1 PHOSPHATIDYLINOSITOL 3 KINASE INHIBITORS PROGENICS PHARMACEUTICALS, INC. 2011-09-01 — — US disclosed
EP-2303890-A2 PHOSPHATIDYLINOSITOL 3 KINASE INHIBITORS Progenics Pharmaceuticals, Inc. (US) 2011-04-06 — — EP 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 LMNA 2658/4885HTT 2663/4885SMN1; SMN2 1839/4885

“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.

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