Sugi Predict

Sugi Predict / Compounds / SCHEMBL3346816

SCHEMBL3346816

SCHEMBL3346816

NC(CC(=O)O)c1ncncn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MMP12 P39900 1/20 0.33
▸ MMP13 P45452 1/20 0.33
▸ GABBR2 O75899 3/20 0.32
▸ GABBR1 Q9UBS5 3/20 0.32
▸ S1PR2 O95136 1/20 0.32
▸ S1PR1 P21453 1/20 0.32
▸ CYP2C19 P33261 3/20 0.32
▸ CYP2D6 P10635 2/20 0.32
▸ CYP2C9 P11712 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ P2RX7 Q99572 1/20 0.32
▸ GABRR1 P24046 2/20 0.31
▸ LMNA P02545 2/20 0.31
▸ SLC22A6 Q4U2R8 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ CYP3A4 P08684 1/20 0.30
▸ ADORA3 P0DMS8 1/20 0.30
▸ NFKB1 P19838 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
SCHEMBL16151353 0.82 KMT2A (0.40) KMT2ASMN1; SMN2MMP12MMP13GABBR2
SCHEMBL9593137 0.77 GABBR2 (0.50) KMT2AGABBR2GABBR1CYP2C19CYP2D6
SCHEMBL16150460 0.74 P2RX7 (0.42) KMT2ASMN1; SMN2MMP12MMP13GABBR2
SCHEMBL6646423 0.72 HCAR2 (0.40) KMT2ASMN1; SMN2GABBR2GABBR1CYP2C19
SCHEMBL1888807 0.72 GABBR2 (0.44) SMN1; SMN2GABBR2GABBR1CYP2C19LMNA
SCHEMBL3526533 0.72 HSP90AA1 (0.38) HSP90AA1
Aspartic Acid SCHEMBL28010666 0.68 GRIK1 (0.45) CYP3A4CYP1A2
SCHEMBL16150119 0.68 KDM4E (0.41) KMT2ASMN1; SMN2MEN1LMNAHSP90AA1
SCHEMBL2999878 0.68 GRM8 (0.43) KMT2ASMN1; SMN2MMP12MMP13GABBR2
SCHEMBL3346811 0.68 CPB2 (0.36) P2RX7LMNAHSP90AA1NFKB1DRD3

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-20100105681-A1 2,6-QUINOLINYL AND 2,6-NAPHTHYL DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES AS VLA-4 INHIBITORS LASSOIE MARIE-AGNES 2010-04-29 — — US disclosed
US-7638630-B2 Very Late Antigen-4 dependent inflammatory disease; asthma, allergic rhinitis, sinusitis, conjunctivitis, food allergy, inflammatory skin disorders, autoimmune disorders, or atherosclerosis, inflammatory skin disorder; methyl 3-[2-(2,6-dichlorophenyl)-6-quinolinyl]-2-hydroxy-2-propenoate UCB PHARMA S.A. (BE) 2009-12-29 — — US disclosed
US-20080064720-A1 2,6-Quinolinyl And 2,6-Naphthyl Derivatives, Processes For Preparing Them And Their Uses As Vla-4 Inhibitors UCB, S.A. (BE) 2008-03-13 — — 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-20080064720-A1 2,6-Quinolinyl And 2,6-Naphthyl Derivatives, Processes For Preparing Them And Their Uses As Vla-4 Inhibitors VCAM1, HRH4, LTA4H KMT2A 1151/4885SMN1; SMN2 4507/4885MMP12 858/4885
US-20100105681-A1 2,6-QUINOLINYL AND 2,6-NAPHTHYL DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES AS VLA-4 INHIBITORS SCN4A, NECTIN4, VPS4B KMT2A 936/4885SMN1; SMN2 3831/4885MMP12 2754/4885

“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.