SCHEMBL17470867

SCHEMBL17470867

CC(C)c1cc(F)cc(N2CCN(C)CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 3/20 0.42
ADRA2C P18825 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
PTK2B Q14289 2/20 0.42
KMT2A Q03164 2/20 0.42
GFER P55789 1/20 0.42
ESR2 Q92731 1/20 0.42
HTR3A P46098 1/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HRH4 Q9H3N8 5/20 0.40
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL20669579 0.93 PANK3 (0.39) ALDH1A1MAPTKMT2AGFERLMNA
SCHEMBL18999635 0.87 KDM4E (0.48) ALDH1A1GAAADRA2CKDM4EMAPT
SCHEMBL18794259 0.87 HRH4 (0.43) ALDH1A1L3MBTL1GAAADRA2CKDM4E
SCHEMBL13843685 0.86 FFAR4 (0.36) ALDH1A1L3MBTL1GAAKDM4EMAPT
SCHEMBL24726638 0.84 ALDH1A1 (0.38) ALDH1A1L3MBTL1GAAKDM4EMAPT
SCHEMBL19248969 0.83 NPC1 (0.49) ALDH1A1L3MBTL1GAAADRA2CKDM4E
SCHEMBL24726643 0.82 KDM4E (0.37) ALDH1A1KDM4EMAPTLMNAPANK3
SCHEMBL18794507 0.82 ALDH1A1 (0.43) ALDH1A1MAPTHTR3ALMNA
SCHEMBL12728816 0.81 KDM4E (0.44) ALDH1A1L3MBTL1GAAKDM4EMAPT
SCHEMBL24726654 0.81 LGMN (0.37) ALDH1A1L3MBTL1KDM4EMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160024089-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2016-01-28 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-20160024089-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 ALDH1A1 2375/4885L3MBTL1 2080/4885GAA 2868/4885

“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.