SCHEMBL3776918

SCHEMBL3776918

Cc1cc([N+]2(C3CC3)N=C(Nc3ccc4c(c3)OC(F)(F)O4)N=C2CC(N)=O)cc(C)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ ADORA2B P29275 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ RECQL P46063 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PIK3CA P42336 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ BRAF P15056 1/20 0.33
▸ ULK1 O75385 1/20 0.33
▸ UBE2M P61081 1/20 0.33
▸ DCUN1D1 Q96GG9 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ SMYD3 Q9H7B4 2/20 0.32
▸ P2RX3 P56373 1/20 0.32
▸ PDE2A O00408 2/20 0.31

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
SCHEMBL3774603 0.84 ADORA3 (0.38) SYKADORA3ADORA2AADORA2BADORA1
SCHEMBL3781709 0.78 CYP3A4 (0.38) SYKBRAF
SCHEMBL828504 0.67 SYK (0.35) SYKADORA3ADORA2AADORA2BADORA1
SCHEMBL829278 0.65 BRAF (0.36) ADORA3ADORA2AADORA2BADORA1PIK3CA
SCHEMBL3776909 0.63 SMYD3 (0.42) SYKADORA3ADORA2AADORA2BADORA1
SCHEMBL31481061 0.59 CTNNB1 (0.47) ALDH1A1KDM4ENPSR1SMYD3
SCHEMBL3774598 0.59 CYP1A2 (0.41) ADORA3ADORA2AADORA2BADORA1RECQL
SCHEMBL736551 0.58 SYK (0.74) SYKULK1
SCHEMBL2343141 0.57 ADORA3 (0.41) ADORA3ADORA2AADORA2BADORA1RECQL
SCHEMBL12450325 0.57 CYP1A2 (0.42) SYKADORA3ADORA2AADORA2BADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2257535-B1 TRISUBSTITUTED 1,2,4-TRIAZOLES AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2013-11-06 — — EP claimed
US-20100324053-A1 TRISUBSTITUTED 1,2,4 TRIAZOLES JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 — — US claimed
EP-2257535-B1 TRISUBSTITUTED 1,2,4-TRIAZOLES AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2013-11-06 — — 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-20100324053-A1 TRISUBSTITUTED 1,2,4 TRIAZOLES CHRNA1, CHRNA5, CHRNE SYK 3235/4885ADORA3 32/4885ADORA2A 42/4885

“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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