Sugi Predict

Sugi Predict / Compounds / SCHEMBL6695604

SCHEMBL6695604

SCHEMBL6695604

CC1=NC(C)(c2cccc(-c3ccc(C4=CCCN(Cc5ccccc5)C4)cc3)n2)C=C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 4/20 0.34
▸ GABRA2 P47869 4/20 0.34
▸ GABRA5 P31644 1/20 0.34
▸ GABRA3 P34903 1/20 0.34
▸ DRD4 P21917 2/20 0.32
▸ DRD3 P35462 2/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ NOS3 P29474 1/20 0.32
▸ NOS1 P29475 1/20 0.32
▸ TMEM97 Q5BJF2 3/20 0.32
▸ SIGMAR1 Q99720 3/20 0.32
▸ CHRM2 P08172 2/20 0.32
▸ CHRM3 P20309 2/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ ADRA1D P25100 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ ADRA1B P35368 1/20 0.32
▸ HTR2B P41595 1/20 0.32
▸ SLC6A3 Q01959 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
SCHEMBL6700244 0.80 DRD2 (0.41) DRD4DRD3DRD2KMT2A
SCHEMBL6702591 0.80 NOS1 (0.51) NOS3NOS1TMEM97SIGMAR1CHRM2
SCHEMBL6703068 0.78 DRD2 (0.42) DRD4DRD3DRD2HTR2CKCNH2
SCHEMBL6705001 0.76 NOS1 (0.56) DRD4DRD3DRD2NOS3NOS1
SCHEMBL6695609 0.75 GABRA1 (0.38) GABRA1GABRA2GABRA5GABRA3DRD4
Hydrochloric Acid SCHEMBL6702330 0.75 NOS1 (0.55) DRD4DRD3DRD2NOS3NOS1
SCHEMBL6695607 0.72 GABRA1 (0.39) GABRA1GABRA2GABRA5GABRA3DRD4
SCHEMBL10640414 0.71 SIGMAR1 (0.52) DRD4SIGMAR1LMNA
SCHEMBL13490646 0.71 LMNA (0.41) DRD4DRD3DRD2SIGMAR1HTR1A
SCHEMBL6621299 0.69 RARA (0.48) ALDH1A1GAASMN1; SMN2KDM4E

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 GABRA1 771/4885GABRA2 715/4885GABRA5 681/4885
US-20040142924-A1 6-Phenylpyridyl-2-amine derivatives useful as NOS inhibitors NOS1, NOS2, NOS3 GABRA1 771/4885GABRA2 715/4885GABRA5 681/4885
US-20020103227-A1 6-Phenylpyridyl-2-amine derivatives useful as NOS inhibitors NOS1, NOS2, NOS3 GABRA1 771/4885GABRA2 715/4885GABRA5 681/4885

“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.