Sugi Predict

Sugi Predict / Compounds / SCHEMBL6696947

SCHEMBL6696947

SCHEMBL6696947

CC1=NC(C)(c2cccc(-c3ccc(Br)cc3)n2)C=C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CG P48736 3/20 0.37
▸ PIK3CA P42336 2/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.35
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ PIK3CB P42338 2/20 0.33
▸ RAB9A P51151 6/20 0.33
▸ NPC1 O15118 5/20 0.33
▸ APP P05067 1/20 0.33
▸ PAX8 Q06710 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ METAP2 P50579 1/20 0.31
▸ POLB P06746 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ NR1H2 P55055 1/20 0.30

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
SCHEMBL6618752 0.83 BRD4 (0.31) —
SCHEMBL6621299 0.82 RARA (0.48) PIK3CGRAB9ANPC1SMN1; SMN2POLB
SCHEMBL6620329 0.80 TNF (0.38) —
SCHEMBL5833030 0.79 — —
SCHEMBL6619784 0.79 JAK1 (0.31) —
SCHEMBL6702629 0.74 TYK2 (0.33) —
SCHEMBL6622608 0.71 MAP3K5 (0.32) —
SCHEMBL3128914 0.68 CCR1 (0.60) PIK3CGPIK3CARXFP1MEN1KMT2A
SCHEMBL28345581 0.64 RAB9A (0.73) RXFP1MEN1KMT2ARAB9ANPC1
SCHEMBL29099806 0.61 PIK3CA (0.53) PIK3CGPIK3CARXFP1MEN1KMT2A

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
US-20040142924-A1 6-Phenylpyridyl-2-amine derivatives useful as NOS inhibitors PFIZER INC 2004-07-22 — — US disclosed
EP-0946512-B1 6-PHENYLPYRIDYL-2-AMINE DERIVATIVES USEFUL AS NOS INHIBITORS PFIZER (US) 2003-10-08 — — EP 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-6235750-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
WO-1998024766-A1 6-PHENYLPYRIDYL-2-AMINE DERIVATIVES USEFUL AS NOS INHIBITORS PFIZER INC. (US) 1998-06-11 — — 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 (3 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-20020032191-A1 6-phenylpyridyl-2-amine derivatives useful as NOS inhibitors NOS1, NOS2, NOS3 PIK3CG 3256/4885PIK3CA 3658/4885RXFP1 536/4885
US-20040142924-A1 6-Phenylpyridyl-2-amine derivatives useful as NOS inhibitors NOS1, NOS2, NOS3 PIK3CG 3256/4885PIK3CA 3658/4885RXFP1 536/4885
US-20020103227-A1 6-Phenylpyridyl-2-amine derivatives useful as NOS inhibitors NOS1, NOS2, NOS3 PIK3CG 3256/4885PIK3CA 3658/4885RXFP1 536/4885

“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.