Sugi Predict

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SCHEMBL5800402

SCHEMBL5800402

CCc1cc(-c2cccc(NCC(C)(C)C)n2)c(OC)cc1CN(C)C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 8/20 0.65
▸ NOS3 P29474 4/20 0.65
▸ CYP2D6 P10635 7/20 0.38
▸ CYP1A2 P05177 6/20 0.38
▸ CYP3A4 P08684 5/20 0.38
▸ TSHR P16473 4/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ BRD9 Q9H8M2 3/20 0.35
▸ BRD7 Q9NPI1 3/20 0.35
▸ BRD4 O60885 2/20 0.35
▸ BRD2 P25440 2/20 0.35
▸ GPR39 O43194 1/20 0.34
▸ CCNT1 O60563 1/20 0.34
▸ CYP2C19 P33261 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KDM4E B2RXH2 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
SCHEMBL5799489 0.87 NOS1 (0.47) NOS1NOS3MEN1KMT2AGPR39
SCHEMBL5799995 0.86 NOS1 (0.47) NOS1NOS3GPR39CCNT1
SCHEMBL8275697 0.84 NOS1 (0.62) NOS1NOS3MEN1KMT2A
SCHEMBL5795698 0.83 NOS1 (0.44) NOS1NOS3GPR39CCNT1
SCHEMBL5796485 0.82 NOS1 (0.42) NOS1NOS3TSHRMEN1KMT2A
SCHEMBL8275580 0.80 NOS1 (0.76) NOS1NOS3CYP2D6CYP1A2MEN1
SCHEMBL194469 0.79 NOS1 (1.00) NOS1NOS3CYP2D6MEN1KMT2A
SCHEMBL7039704 0.77 NOS1 (0.38) NOS1NOS3CCNT1
SCHEMBL8353981 0.75 NOS1 (0.46) NOS1NOS3MEN1KMT2ACCNT1
SCHEMBL6710928 0.74 NOS1 (0.64) NOS1NOS3MEN1KMT2A

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-1434624-B1 2-AMINO-6-(2,4,5-SUBSTITUTED-PHENYL)-PYRIDINES FOR USE AS NITRIC OXIDE SYNTHASE INHIBITORS PFIZER PROD INC (US) 2006-11-02 — — EP disclosed
US-20050032847-A1 2-amino-6(2,4,5-substitued-phenyl)-pyridines PFIZER INC. 2005-02-10 — — US disclosed
US-6803470-B2 NITRIC OXIDE SYNTHASE INHIBITORS. PFIZER INC 2004-10-12 — — US disclosed
EP-1434624-A1 2-AMINO-6-(2,4,5-SUBSTITUTED-PHENYL)-PYRIDINES FOR USE AS NITRIC OXIDE SYNTHASE INHIBITORS Pfizer Products Inc. (US) 2004-07-07 — — EP disclosed
US-20040077853-A1 2-amino-6-(2,4,5-substituted-phenyl)-pyridines PFIZER INC. 2004-04-22 — — US disclosed
US-20030087891-A1 2-Amino-6-(2,4,5-substituted-phenyl)-pyridines PFIZER INC. 2003-05-08 — — US disclosed
WO-2003030993-A1 2-AMINO-6-(2,4,5-SUBSTITUTED-PHENYL)-PYRIDINES FOR USE AS NITRIC OXIDE SYNTHASE INHIBITORS PFIZER PRODUCTS INC. (US) 2003-04-17 — — 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-20030087891-A1 2-Amino-6-(2,4,5-substituted-phenyl)-pyridines PNMT, HTR6, HTR2C NOS1 2251/4885NOS3 1089/4885CYP2D6 107/4885
US-20040077853-A1 2-amino-6-(2,4,5-substituted-phenyl)-pyridines NOS3, NOS1, NOS2 NOS1 2/4885NOS3 1/4885CYP2D6 42/4885
US-20050032847-A1 2-amino-6(2,4,5-substitued-phenyl)-pyridines PNMT, HTR6, HTR2C NOS1 2336/4885NOS3 1069/4885CYP2D6 80/4885

“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.