SCHEMBL3782936

SCHEMBL3782936

Cc1cc(-n2nc(Nc3ccc4c(c3)OC(F)(F)O4)nc2CCC(=O)N(C)C)cc(C)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ PTK2 Q05397 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ ADORA2B P29275 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ IGF1R P08069 1/20 0.36
▸ BRAF P15056 3/20 0.36
▸ KIT P10721 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ P2RX3 P56373 1/20 0.34
▸ SYK P43405 1/20 0.34
▸ PDE2A O00408 1/20 0.34
▸ RECQL P46063 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ LCK P06239 2/20 0.33
▸ MAPK14 Q16539 2/20 0.33

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
SCHEMBL3770236 0.83 IGF1R (0.39) JAK2JAK3PTK2IGF1RALDH1A1
SCHEMBL3774598 0.81 CYP1A2 (0.41) ADORA3ADORA2AADORA2BADORA1CYP1A2
SCHEMBL3776909 0.80 SMYD3 (0.42) ADORA3ADORA2AADORA2BADORA1CYP1A2
SCHEMBL1506277 0.77 CYP1A2 (0.39) ADORA3ADORA2AADORA2BADORA1CYP1A2
Jnj-39393406 SCHEMBL827762 0.74 KDM4E (0.39) JAK2JAK3PTK2ADORA3ADORA2A
Jnj-39393406 SCHEMBL29363681 0.74 KDM4E (0.39) JAK2JAK3PTK2ADORA3ADORA2A
SCHEMBL827982 0.73 CYP1A2 (0.39) JAK2JAK3PTK2ADORA3ADORA2A
SCHEMBL3784905 0.73 MAOB (0.40) ALDH1A1SYKSMN1; SMN2
SCHEMBL827668 0.71 CYP1A2 (0.38) JAK2JAK3PTK2ADORA3ADORA2A
SCHEMBL12450325 0.70 CYP1A2 (0.42) ADORA3ADORA2AADORA2BADORA1CYP1A2

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 JAK2 2568/4885JAK3 2126/4885PTK2 3416/4885

“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.

Send feedback