SCHEMBL4402425

SCHEMBL4402425

CC(C)(C)c1ccc(C2CCN(C=O)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.48
▸ TSHR P16473 1/20 0.45
▸ ADRA2A P08913 1/20 0.43
▸ DRD1 P21728 1/20 0.43
▸ DRD5 P21918 1/20 0.43
▸ ADRA1B P35368 1/20 0.43
▸ P2RY14 Q15391 1/20 0.43
▸ SIGMAR1 Q99720 1/20 0.43
▸ HRH4 Q9H3N8 1/20 0.43
▸ LIPE Q05469 1/20 0.43
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ TLR8 Q9NR97 1/20 0.38
▸ TLR7 Q9NYK1 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HSD11B1 P28845 1/20 0.37
▸ CCR1 P32246 1/20 0.36

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
SCHEMBL22688514 0.83 P2RY14 (0.57) ADRA2ADRD1DRD5ADRA1BP2RY14
SCHEMBL4402407 0.83 TSHR (0.40) TP53TSHRLIPEMEN1KMT2A
SCHEMBL16994794 0.81 SLC18A3 (0.49) TP53TSHRLIPEPDE4BTLR8
SCHEMBL4404288 0.79 QDPR (0.51) TP53P2RY14SIGMAR1LIPEHPGD
SCHEMBL3710421 0.78 SLC18A3 (0.52) TSHRSIGMAR1MEN1KMT2ADRD2
SCHEMBL628247 0.78 TSHR (0.46) TP53TSHRLIPELMNACNR2
SCHEMBL13141241 0.77 TP53 (0.48) TP53TSHRSIGMAR1LIPEMEN1
SCHEMBL19971165 0.77 ATM (0.44) ADRA2ADRD1DRD5ADRA1BP2RY14
SCHEMBL21285985 0.77 SLC18A3 (0.49) ADRA2ADRD1DRD5ADRA1BP2RY14
SCHEMBL28818445 0.77 ESR2 (0.55) —

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-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS ALEXION PHARMACEUTICALS, INC. 2015-12-10 — — US disclosed
US-9102625-B2 Nicotinamides as JAK kinase modulators PORTOLA PHARMACEUTICALS, INC. (US) 2015-08-11 — — US disclosed
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-03 — — US disclosed
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-03 — — 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 (2 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-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK TP53 3467/4885TSHR 3127/4885ADRA2A 4654/4885
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK TP53 3467/4885TSHR 3127/4885ADRA2A 4654/4885

“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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