SCHEMBL3067464

SCHEMBL3067464

C#Cc1nn(Cc2ccccc2)c2ccccc12.C1=C2CCCC12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ PDE5A O76074 4/20 0.37
▸ USP30 Q70CQ3 1/20 0.37
▸ CYP1A2 P05177 3/20 0.35
▸ CYP2D6 P10635 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ GMNN O75496 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ MAPK1 P28482 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
SCHEMBL3058697 0.76 CNR1 (0.47) CNR2CNR1ACHEPDE5ACYP1A2
SCHEMBL4435378 0.70 CNR1 (0.54) CNR2CNR1ACHEPDE5AUSP30
SCHEMBL3058694 0.68 CNR1 (0.51) CNR2CNR1ACHEPDE5ACYP1A2
SCHEMBL3067461 0.67 CYP1A2 (0.44) CNR2CNR1ACHEPDE5AUSP30
SCHEMBL27983382 0.66 CNR1 (0.52) CNR2CNR1ACHEPDE5AUSP30
SCHEMBL13959091 0.64 CNR1 (0.47) CNR2CNR1ACHEPDE5AUSP30
SCHEMBL17696321 0.63 CNR1 (0.59) CNR2CNR1ACHEPDE5ACYP1A2
SCHEMBL29342349 0.63 CNR1 (0.59) CNR2CNR1ACHEPDE5ACYP1A2
SCHEMBL3061107 0.63 CNR1 (0.46) CNR2CNR1ACHEPDE5AUSP30
SCHEMBL1226080 0.62 CNR1 (0.58) CNR2CNR1ACHEPDE5ACYP1A2

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 6 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
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

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 CNR2 1323/4885CNR1 1297/4885ACHE 3018/4885

“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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