SCHEMBL3770236

SCHEMBL3770236

Cc1cc(-n2nc(Nc3ccc(F)c(F)c3)nc2CCC(=O)N(C)C)cc(C)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 2/20 0.39
▸ SPR P35270 1/20 0.38
▸ KCNJ6 P48051 4/20 0.37
▸ KCNJ5 P48544 4/20 0.37
▸ KCNJ3 P48549 4/20 0.37
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ KCNH2 Q12809 2/20 0.34
▸ P2RX3 P56373 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ JAK2 O60674 3/20 0.33
▸ JAK3 P52333 3/20 0.33
▸ GSK3B P49841 2/20 0.33
▸ PTK2 Q05397 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ SYK P43405 1/20 0.33
▸ GRIN2B Q13224 1/20 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
SCHEMBL3782936 0.83 JAK2 (0.38) IGF1RSMN1; SMN2P2RX3KDM4EJAK2
SCHEMBL3784905 0.83 MAOB (0.40) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL3773575 0.79 KCNJ6 (0.37) SPRKCNJ6KCNJ5KCNJ3NPC1
SCHEMBL1506178 0.74 MAPK1 (0.38) SPRKCNJ6KCNJ5KCNJ3NPC1
SCHEMBL3777020 0.70 MEN1 (0.43) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL3781786 0.70 SYK (0.47) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL3433367 0.67 RAPGEF4 (0.30) —
SCHEMBL3770357 0.67 RAPGEF4 (0.30) —
SCHEMBL3782925 0.66 BRAF (0.40) IGF1RGSK3BCDK2SYK
SCHEMBL3778561 0.64 STK17A (0.42) JAK2JAK3GSK3BGRIN2BJAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8778974-B2 Trisubstituted 1,2,4 triazoles JANSSEN PHARMACEUTICA NV (BE) 2014-07-15 — — US claimed
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 IGF1R 1229/4885SPR 1130/4885KCNJ6 263/4885

“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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