SCHEMBL6620337

SCHEMBL6620337

Cc1ccc(C)n1-c1cccc(-c2ccc(CC#N)cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.41
TNF P01375 1/20 0.40
ABCB1 P08183 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
KDM4E B2RXH2 4/20 0.35
LMNA P02545 1/20 0.35
TGFBR1 P36897 1/20 0.34
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4D Q08499 1/20 0.34
FLT3 P36888 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ADORA2A P29274 1/20 0.33
MMP3 P08254 1/20 0.33
BRS3 P32247 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
CHEK1 O14757 1/20 0.33
NR1H2 P55055 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
SCHEMBL12318156 0.79 CCR1 (0.48) IRAK4TNFABCB1ABCG2KDM4E
SCHEMBL6618175 0.79 NOS1 (0.36) IRAK4KDM4ELMNAALDH1A1MAPT
SCHEMBL6618202 0.79 IRAK4 (0.40) IRAK4KDM4ELMNAALDH1A1MAPT
SCHEMBL2969912 0.77 RAB9A (0.54) KDM4ELMNAALDH1A1MAPT
SCHEMBL6620277 0.77 SPNS2 (0.45) IRAK4KDM4ELMNAALDH1A1MAPT
SCHEMBL6619783 0.77 JAK1 (0.36) IRAK4KDM4ELMNAALDH1A1L3MBTL1
SCHEMBL6620028 0.77 KLKB1 (0.54) LMNA
SCHEMBL6622244 0.77 HTR2A (0.46) L3MBTL1PDE4BPDE4D
SCHEMBL6696955 0.76 RAB9A (0.42) KDM4ELMNAALDH1A1MAPT
SCHEMBL9848050 0.74 MAPT (0.47) KDM4ELMNAALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1471055-A1 6-phenylpyridyl-2-amine derivatives PFIZER INC. (US) 2004-10-27 EP disclosed
EP-0891332-B1 6-PHENYLPYRIDYL-2-AMINE DERIVATIVES PFIZER (US) 2004-03-17 EP disclosed
US-6465491-B2 NITRIC OXIDE SYNTHASE INHIBITOR; NERVOUS SYSTEM DISORDERS PFIZER INC. 2002-10-15 US disclosed
US-20010034348-A1 6-phenylpyridyl-2-amine derivatives LOWE JOHN A (US) 2001-10-25 US disclosed
US-6235747-B1 NITRIC OXIDE SYNTHASE INHIBITOR PFIZER INC. 2001-05-22 US disclosed
EP-0891332-A1 6-PHENYLPYRIDYL-2-AMINE DERIVATIVES PFIZER INC. (US) 1999-01-20 EP disclosed
WO-1997036871-A1 6-PHENYLPYRIDYL-2-AMINE DERIVATIVES PFIZER INC. (US) 1997-10-09 WO 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-20010034348-A1 6-phenylpyridyl-2-amine derivatives NOS2, NOS3, NOS1 IRAK4 2130/4885TNF 2339/4885ABCB1 701/4885

“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.