SCHEMBL5613000

SCHEMBL5613000

Cc1cc(C)cc(N[C@@H]2CCCC[C@H]2N)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.60
▸ ALDH1A1 P00352 1/20 0.60
▸ SYK P43405 14/20 0.56
▸ FER P16591 4/20 0.45
▸ KCNH2 Q12809 3/20 0.45
▸ ZAP70 P43403 2/20 0.45
▸ MAPK1 P28482 3/20 0.44
▸ MAPK3 P27361 2/20 0.44
▸ AURKB Q96GD4 2/20 0.44
▸ GP6 Q9HCN6 1/20 0.44
▸ CDC7 O00311 1/20 0.44
▸ PLK4 O00444 1/20 0.44
▸ CHEK1 O14757 1/20 0.44
▸ PDPK1 O15530 1/20 0.44
▸ DAPK3 O43293 1/20 0.44
▸ DYRK3 O43781 1/20 0.44
▸ JAK2 O60674 1/20 0.44
▸ ROCK2 O75116 1/20 0.44
▸ RPS6KA5 O75582 1/20 0.44
▸ PRKD3 O94806 1/20 0.44

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
SCHEMBL4437198 0.81 SYK (0.50) KDM4EALDH1A1SYKFERKCNH2
SCHEMBL5613415 0.81 SYK (0.50) KDM4EALDH1A1SYKFERKCNH2
SCHEMBL1077404 0.81 SYK (0.50) KDM4EALDH1A1SYKFERKCNH2
SCHEMBL5605298 0.81 SYK (0.50) KDM4EALDH1A1SYKFERKCNH2
SCHEMBL5025114 0.75 SYK (0.74) SYKFERKCNH2ZAP70MAPK1
SCHEMBL27905541 0.75 SYK (0.44) KDM4ESYKFERKCNH2MAPK1
SCHEMBL810967 0.75 ALDH1A1 (0.50) KDM4EALDH1A1SYKLMNANPSR1
SCHEMBL7020150 0.73 ALDH1A1 (0.51) ALDH1A1SYKFERCDC7JAK2
SCHEMBL4064618 0.73 ALDH1A1 (0.51) ALDH1A1SYKFERCDC7JAK2
SCHEMBL4065551 0.73 ALDH1A1 (0.51) ALDH1A1SYKFERCDC7JAK2

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1390340-B1 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INST TECHNOLOGY (US) 2017-03-01 — — EP disclosed
EP-1390340-B1 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INST TECHNOLOGY (US) 2017-03-01 — — EP disclosed
US-9067955-B2 Copper-catalyzed formation of carbon-heteroatom and carbon—carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-06-30 — — US disclosed
US-9067955-B2 Copper-catalyzed formation of carbon-heteroatom and carbon—carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-06-30 — — US disclosed
US-9067955-B2 Copper-catalyzed formation of carbon-heteroatom and carbon—carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-06-30 — — US disclosed
EP-1390340-A4 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INST TECHNOLOGY (US) 2007-07-25 — — EP disclosed
US-20060264673-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2006-11-23 — — US disclosed
US-7115784-B2 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2006-10-03 — — US disclosed
US-20050215794-A1 Copper-catalyzed formation of carbon heteroatom and carbon-carbon bonds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-09-29 — — US disclosed
US-6867298-B2 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2005-03-15 — — US disclosed
CN-1518534-A Copper-catalyzed carbon-heteroatom and carbon-carbon bond formation 麻省理工学院 2004-08-04 — — CN disclosed
US-6759554-B2 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2004-07-06 — — US disclosed
EP-1390340-A1 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2004-02-25 — — EP disclosed
US-20040019216-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-01-29 — — US disclosed
US-20030065187-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-04-03 — — US disclosed
WO-2002085838-A1 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2002-10-31 — — 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 (4 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-20060264673-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds ADH5, CBR3, ALDH3A1 KDM4E 1140/4885ALDH1A1 26/4885SYK 4036/4885
US-20050215794-A1 Copper-catalyzed formation of carbon heteroatom and carbon-carbon bonds CBR3, ADH5, IDH1 KDM4E 1453/4885ALDH1A1 30/4885SYK 3998/4885
US-20030065187-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds ADH5, CBR3, ALDH3A1 KDM4E 1140/4885ALDH1A1 26/4885SYK 4036/4885
US-20040019216-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds ADH5, CBR3, ALDH3A1 KDM4E 1140/4885ALDH1A1 26/4885SYK 4036/4885

“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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