SCHEMBL3053983

SCHEMBL3053983

CCCCCC#Cc1nn(Cc2ccccc2)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 2/20 0.44
▸ PDE4B Q07343 2/20 0.44
▸ PDE4C Q08493 2/20 0.44
▸ PDE4D Q08499 2/20 0.44
▸ CNR1 P21554 3/20 0.44
▸ CNR2 P34972 3/20 0.44
▸ ACHE P22303 1/20 0.44
▸ CYP1A2 P05177 4/20 0.44
▸ CYP2D6 P10635 4/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ GUCY1B2 O75343 1/20 0.44
▸ CHRM2 P08172 1/20 0.44
▸ HTR1A P08908 1/20 0.44
▸ ADRA2A P08913 1/20 0.44
▸ CHRM1 P11229 1/20 0.44
▸ DRD1 P21728 1/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ SLC6A4 P31645 1/20 0.44
▸ GUCY1A2 P33402 1/20 0.44
▸ ADRA1A P35348 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
SCHEMBL13959091 0.91 CNR1 (0.47) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL3061107 0.87 CNR1 (0.46) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL3058694 0.77 CNR1 (0.51) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL1908225 0.75 SLC16A3 (0.52) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL4435378 0.74 CNR1 (0.54) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL14853618 0.70 BUB1 (0.42) CNR1CNR2ACHECYP1A2CYP2D6
SCHEMBL30728962 0.70 SLC16A3 (0.55) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL8373357 0.69 SLC16A3 (0.58) CNR1CNR2ACHECYP1A2CYP2D6
SCHEMBL13777341 0.69 L3MBTL1 (0.62) CNR1CNR2ACHECYP1A2CYP2D6
SCHEMBL3067461 0.68 CYP1A2 (0.44) CNR1CNR2ACHECYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2173716-B1 A PROCESS FOR THE PALLADIUM-CATALYZED COUPLING OF TERMINAL ALKYNES WITH HETEROARYL TOSYLATES AND HETEROARYL BENZENESULFONATES SANOFI SA (FR) 2014-03-19 — — EP claimed
US-8420812-B2 Process for the palladium-catalyzed coupling of terminal alkynes with heteroaryl tosylates and heteroaryl benzenesulfonates SANOFI (FR) 2013-04-16 — — US claimed
US-20100261900-A1 Process for the palladium-catalyzed coupling of terminal alkynes with heteroaryl tosylates and heteroaryl benzenesulfonates SANOFI-AVENTIS (FR) 2010-10-14 — — US claimed
EP-2173716-B1 A PROCESS FOR THE PALLADIUM-CATALYZED COUPLING OF TERMINAL ALKYNES WITH HETEROARYL TOSYLATES AND HETEROARYL BENZENESULFONATES SANOFI SA (FR) 2014-03-19 — — EP disclosed
EP-2173716-B1 A PROCESS FOR THE PALLADIUM-CATALYZED COUPLING OF TERMINAL ALKYNES WITH HETEROARYL TOSYLATES AND HETEROARYL BENZENESULFONATES SANOFI SA (FR) 2014-03-19 — — EP disclosed
US-8420812-B2 Process for the palladium-catalyzed coupling of terminal alkynes with heteroaryl tosylates and heteroaryl benzenesulfonates SANOFI (FR) 2013-04-16 — — US disclosed
US-8420812-B2 Process for the palladium-catalyzed coupling of terminal alkynes with heteroaryl tosylates and heteroaryl benzenesulfonates SANOFI (FR) 2013-04-16 — — US disclosed
US-8420812-B2 Process for the palladium-catalyzed coupling of terminal alkynes with heteroaryl tosylates and heteroaryl benzenesulfonates SANOFI (FR) 2013-04-16 — — US disclosed
US-20100261900-A1 Process for the palladium-catalyzed coupling of terminal alkynes with heteroaryl tosylates and heteroaryl benzenesulfonates SANOFI-AVENTIS (FR) 2010-10-14 — — US disclosed
US-20100261900-A1 Process for the palladium-catalyzed coupling of terminal alkynes with heteroaryl tosylates and heteroaryl benzenesulfonates SANOFI-AVENTIS (FR) 2010-10-14 — — US disclosed
EP-2173716-A1 A PROCESS FOR THE PALLADIUM-CATALYZED COUPLING OF TERMINAL ALKYNES WITH HETEROARYL TOSYLATES AND HETEROARYL BENZENESULFONATES Sanofi-Aventis (FR) 2010-04-14 — — EP disclosed
WO-2009003590-A1 A PROCESS FOR THE PALLADIUM-CATALYZED COUPLING OF TERMINAL ALKYNES WITH HETEROARYL TOSYLATES AND HETEROARYL BENZENESULFONATES SANOFI-AVENTIS (FR) 2009-01-08 — — WO disclosed
WO-2009003590-A1 A PROCESS FOR THE PALLADIUM-CATALYZED COUPLING OF TERMINAL ALKYNES WITH HETEROARYL TOSYLATES AND HETEROARYL BENZENESULFONATES SANOFI-AVENTIS (FR) 2009-01-08 — — 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 (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-20100261900-A1 Process for the palladium-catalyzed coupling of terminal alkynes with heteroaryl tosylates and heteroaryl benzenesulfonates DDT, TYR, DDC PDE4A 3913/4885PDE4B 3805/4885PDE4C 4034/4885

“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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