SCHEMBL6618754

SCHEMBL6618754

Cc1cc(-c2cccc(-c3ccc(C=O)cc3)n2)c(C)[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARG P13631 1/20 0.37
ALDH1A1 P00352 4/20 0.34
HPGD P15428 3/20 0.34
MAPT P10636 2/20 0.34
POLB P06746 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
MPL P40238 1/20 0.34
RAB9A P51151 2/20 0.33
BRD4 O60885 2/20 0.33
CYP2A6 P11509 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
RARA P10276 1/20 0.33
RARB P10826 1/20 0.33
KDM4E B2RXH2 2/20 0.32
GFER P55789 1/20 0.32
NPC1 O15118 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DHODH Q02127 1/20 0.32

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
SCHEMBL6696951 0.81 RAB9A (0.49) RARGALDH1A1HPGDMAPTPOLB
SCHEMBL6621300 0.81 RARG (0.56) RARGALDH1A1HPGDPOLBRAB9A
SCHEMBL6701105 0.79 ALDH1A1 (0.43) RARGALDH1A1HPGDMAPTRAB9A
SCHEMBL29042272 0.78 MEN1 (0.52) ALDH1A1HPGDMAPTPOLBHSD17B10
SCHEMBL6700485 0.78 MEN1 (0.49) ALDH1A1HPGDMAPTPOLBRAB9A
SCHEMBL8576740 0.77 KARS1 (0.41) ALDH1A1HPGDMAPTHSD17B10RAB9A
SCHEMBL6620780 0.76 PTGS2 (0.53) RARGHPGDMAPTMEN1KMT2A
SCHEMBL6620024 0.76 ABCC4 (0.42) RARGMPLKMT2ARARARARB
SCHEMBL6700785 0.76 CYP2A6 (0.49) ALDH1A1CYP2A6KMT2ADHODHKIF11
SCHEMBL6620332 0.75 TNF (0.40) RARGALDH1A1HPGDMAPTPOLB

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 14 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
US-20040142924-A1 6-Phenylpyridyl-2-amine derivatives useful as NOS inhibitors PFIZER INC 2004-07-22 US disclosed
EP-0891332-B1 6-PHENYLPYRIDYL-2-AMINE DERIVATIVES PFIZER (US) 2004-03-17 EP disclosed
EP-0946512-B1 6-PHENYLPYRIDYL-2-AMINE DERIVATIVES USEFUL AS NOS INHIBITORS PFIZER (US) 2003-10-08 EP disclosed
US-6465491-B2 NITRIC OXIDE SYNTHASE INHIBITOR; NERVOUS SYSTEM DISORDERS PFIZER INC. 2002-10-15 US disclosed
US-20020103227-A1 6-Phenylpyridyl-2-amine derivatives useful as NOS inhibitors LOWE JOHN A (US) 2002-08-01 US disclosed
US-20020032191-A1 6-phenylpyridyl-2-amine derivatives useful as NOS inhibitors LOWE JOHN A (US) 2002-03-14 US disclosed
US-20010034348-A1 6-phenylpyridyl-2-amine derivatives LOWE JOHN A (US) 2001-10-25 US disclosed
US-6235750-B1 NITRIC OXIDE SYNTHASE INHIBITOR PFIZER INC 2001-05-22 US disclosed
US-6235747-B1 NITRIC OXIDE SYNTHASE INHIBITOR PFIZER INC. 2001-05-22 US disclosed
EP-0946512-A1 6-PHENYLPYRIDYL-2-AMINE DERIVATIVES USEFUL AS NOS INHIBITORS PFIZER INC. (US) 1999-10-06 EP disclosed
EP-0891332-A1 6-PHENYLPYRIDYL-2-AMINE DERIVATIVES PFIZER INC. (US) 1999-01-20 EP disclosed
WO-1998024766-A1 6-PHENYLPYRIDYL-2-AMINE DERIVATIVES USEFUL AS NOS INHIBITORS PFIZER INC. (US) 1998-06-11 WO 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 (4 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 RARG 3022/4885ALDH1A1 1322/4885HPGD 136/4885
US-20020032191-A1 6-phenylpyridyl-2-amine derivatives useful as NOS inhibitors NOS1, NOS2, NOS3 RARG 1970/4885ALDH1A1 438/4885HPGD 192/4885
US-20040142924-A1 6-Phenylpyridyl-2-amine derivatives useful as NOS inhibitors NOS1, NOS2, NOS3 RARG 1970/4885ALDH1A1 438/4885HPGD 192/4885
US-20020103227-A1 6-Phenylpyridyl-2-amine derivatives useful as NOS inhibitors NOS1, NOS2, NOS3 RARG 1970/4885ALDH1A1 438/4885HPGD 192/4885

“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.