Sugi Predict

Sugi Predict / Compounds / SCHEMBL7567775

SCHEMBL7567775

SCHEMBL7567775

Oc1ccc(CNc2ccccn2)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 1/20 0.82
▸ FABP1 P07148 1/20 0.73
▸ FABP6 P51161 1/20 0.73
▸ KDM4E B2RXH2 3/20 0.70
▸ GAA P10253 3/20 0.64
▸ NPC1 O15118 2/20 0.64
▸ RAB9A P51151 2/20 0.64
▸ TP53 P04637 1/20 0.64
▸ TSHR P16473 1/20 0.64
▸ ALDH1A1 P00352 2/20 0.60
▸ NOS1 P29475 1/20 0.60
▸ HPGD P15428 1/20 0.60
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ MAPT P10636 2/20 0.51
▸ THRB P10828 1/20 0.51
▸ ALOX12 P18054 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL29351380 0.91 CXCR4 (1.00) CXCR4FABP1FABP6KDM4EGAA
SCHEMBL589266 0.91 CXCR4 (1.00) CXCR4FABP1FABP6KDM4EGAA
SCHEMBL4064838 0.86 CXCR4 (0.82) CXCR4FABP1FABP6KDM4EGAA
SCHEMBL10055030 0.85 CXCR4 (0.89) CXCR4FABP1FABP6KDM4EGAA
SCHEMBL29664808 0.85 FABP1 (1.00) CXCR4FABP1FABP6KDM4EGAA
SCHEMBL2230559 0.85 FABP1 (1.00) CXCR4FABP1FABP6KDM4EGAA
Hydrochloric Acid SCHEMBL4696844 0.83 FABP1 (0.96) CXCR4FABP1FABP6KDM4EGAA
SCHEMBL27585010 0.83 FABP1 (0.96) CXCR4FABP1FABP6KDM4EGAA
Fluoride SCHEMBL28270594 0.83 FABP1 (0.96) CXCR4FABP1FABP6KDM4EGAA
SCHEMBL8170461 0.83 CYP1A2 (0.60) CXCR4FABP1FABP6KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020099210-A1 Propanoic acid derivatives as integrin inhibitors CELLTECH CHIROSCIENCE LTD. (GB) 2002-07-25 — — US disclosed
US-20020035092-A1 Inhibit binding of alpha-v integrins to their ligands, use in treatment of immune and inflammatory disorders; 3-(4-(2-Aminoethyl)benzamide)-3-(2-(4-(2-pyridylamino)methyl) phenoxy)-4-pyrimidinyl)propanoic acid CELLTECH THERAPEUTICS LIMITED 2002-03-21 — — US disclosed
US-6319922-B1 ALPHA-PYRIMIDYL-SUBSTITUTED; USEFUL FOR TREATING DISEASES INCLUDING INFLAMMATORY DISEASES, AND DISEASES INVOLVING ANGIOGENESIS, BONE RESORPTION OR CELLULAR OR MATRIX OVER-EXPANSION. CELLTECH THERAPEUTICS LIMITED (GB) 2001-11-20 — — US 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 (2 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-20020035092-A1 Inhibit binding of alpha-v integrins to their ligands, use in treatment of immune and inflammatory disorders; 3-(4-(2-Aminoethyl)benzamide)-3-(2-(4-(2-pyridylamino)methyl) phenoxy)-4-pyrimidinyl)propanoic acid ITGA1, ITGB1, VCAM1 CXCR4 264/4885FABP1 630/4885FABP6 1517/4885
US-20020099210-A1 Propanoic acid derivatives as integrin inhibitors ITGA1, ITGB1, ITGB7 CXCR4 178/4885FABP1 530/4885FABP6 863/4885

“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.