SCHEMBL724659

SCHEMBL724659

Cc1c(Cl)cccc1CBr

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
PNMT P11086 2/20 0.41
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
IDO1 P14902 2/20 0.38
TAAR1 Q96RJ0 4/20 0.38
P2RX7 Q99572 5/20 0.36

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
SCHEMBL2811529 0.83 GABRA1 (0.42) ALDH1A1TAAR1
SCHEMBL1290396 0.83 ALDH1A1 (0.43) ALDH1A1PNMTLMNAHPGDALOX12
SCHEMBL79270 0.79 ALDH1A1 (0.41) ALDH1A1PNMTLMNAHPGDALOX12
SCHEMBL3119523 0.79 ALDH1A1 (0.48) ALDH1A1PNMTLMNAHPGDALOX12
SCHEMBL3789998 0.79 ALDH1A1 (0.48) ALDH1A1PNMTLMNAHPGDALOX12
SCHEMBL8090789 0.78 GABRA1 (0.52) ALDH1A1PNMTLMNAHPGDALOX12
SCHEMBL14142844 0.77 ALDH1A1 (0.46) ALDH1A1PNMTLMNAHPGDALOX12
SCHEMBL5066645 0.77 ALDH1A1 (0.46) ALDH1A1PNMTLMNAHPGDALOX12
SCHEMBL11006111 0.77 ALDH1A1 (0.46) ALDH1A1PNMTLMNAHPGDALOX12
SCHEMBL92967 0.77 PDCD1 (0.53) ALDH1A1PNMTLMNAHPGDALOX12

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 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107108634-B Imidazopyridazine derivatives as PI3K beta inhibitors 詹森药业有限公司 2020-09-15 CN disclosed
WO-2020119592-A1 NOVEL THREE-RING FUSED STRUCTURE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 信达生物制药(苏州)有限公司 2020-06-18 WO disclosed
US-10660898-B2 Benzimidazole derivatives as PI3 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2020-05-26 US disclosed
WO-2020067593-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 희성소재(주) 2020-04-02 WO disclosed
US-20190255064-A1 BENZIMIDAZOLE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC 2019-08-22 US disclosed
EP-3233862-B1 IMIDAZOPYRIDAZINE DERIVATIVES AS PI3KBETA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2019-07-03 EP disclosed
US-10314845-B2 Benzimidazole derivatives as PI3 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2019-06-11 US disclosed
EP-3170813-B1 BENZIMIDAZOLE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2018-12-12 EP disclosed
US-10087187-B2 Imidazopyridazine derivatives as PI3KB inhibitors JANSSEN PHARMACEUTICA NV (BE) 2018-10-02 US disclosed
US-20180263994-A1 Benzimidazole Derivatives as PI3 Kinase Inhibitors GLAXOSMITHKLINE LLC 2018-09-20 US disclosed
WO-2010135504-A1 THIAZOLOPYRIMIDINONE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2010-11-25 WO disclosed
US-20050154007-A1 New compounds AMIN KOSRAT (SE) 2005-07-14 US disclosed
US-6790960-B2 Compounds ASTRAZENECA AB (SE) 2004-09-14 US disclosed
EP-1411056-A2 Imidazo[1,2-a]pyridine compounds that inhibit gastric acid secretion, pharmaceutical compositions thereof, and processes for their preparation AstraZeneca AB (SE) 2004-04-21 EP disclosed
US-20030220364-A1 New compounds AMIN KOSRAT (SE) 2003-11-27 US disclosed
US-6579884-B1 Compounds ASTRAZENECA AB (SE) 2003-06-17 US disclosed
WO-2002057257-A1 CYCLO`C!AZEPANE DERIVATIVES WHICH ARE USED AS FARNESYLTRANSFERASE INHIBITORS AND METHOD FOR THE PREPARATION THEREFOR LES LABORATOIRES SERVIER (FR) 2002-07-25 WO disclosed
CN-1329613-A novel compounds ASTRAZENECA AB (SE) 2002-01-02 CN disclosed
EP-1105391-A2 NEW COMPOUNDS AstraZeneca AB (SE) 2001-06-13 EP disclosed
WO-2000011000-A2 NEW COMPOUNDS ASTRAZENECA AB (SE) 2000-03-02 WO 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 (7 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-20030220364-A1 New compounds SLC10A2, GIPR, FABP2 ALDH1A1 1399/4885PNMT 4195/4885LMNA 4594/4885
US-20180263994-A1 Benzimidazole Derivatives as PI3 Kinase Inhibitors PI4KB, PIK3CD, PI4KA ALDH1A1 1375/4885PNMT 1984/4885LMNA 4753/4885
US-10660898-B2 Benzimidazole derivatives as PI3 kinase inhibitors PI4KB, PIK3CD, PI4KA ALDH1A1 1375/4885PNMT 1984/4885LMNA 4753/4885
US-10314845-B2 Benzimidazole derivatives as PI3 kinase inhibitors PI4KB, PIK3CD, PI4KA ALDH1A1 1375/4885PNMT 1984/4885LMNA 4753/4885
US-10087187-B2 Imidazopyridazine derivatives as PI3KB inhibitors PIK3CB, PIK3CD, PIK3CA ALDH1A1 1344/4885PNMT 3688/4885LMNA 3691/4885
US-20050154007-A1 New compounds SLC10A2, GIPR, FABP6 ALDH1A1 1838/4885PNMT 4132/4885LMNA 4580/4885
US-20190255064-A1 BENZIMIDAZOLE DERIVATIVES AS PI3 KINASE INHIBITORS PI4KB, PIK3CD, PI4KA ALDH1A1 1375/4885PNMT 1984/4885LMNA 4753/4885

“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.