SCHEMBL6477443

SCHEMBL6477443

Brc1cc2cccc(Br)c2nn1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.44
NOS1 P29475 2/20 0.35
GRM2 Q14416 9/20 0.34
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ENPP3 O14638 1/20 0.32
ENPP1 P22413 1/20 0.32
AXL P30530 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
NQO2 P16083 1/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL7983249 0.77 BACE1 (0.56) BACE1NOS1GRM2LMNASMN1; SMN2
SCHEMBL31020164 0.75 GRM2 (0.40) BACE1NOS1GRM2LMNASMN1; SMN2
SCHEMBL12737722 0.70 BACE1 (0.48) BACE1NOS1GRM2LMNASMN1; SMN2
SCHEMBL5245198 0.68 KDM4E (0.55) LMNANPC1RAB9ANQO2
SCHEMBL339928 0.68 BACE1 (0.63) BACE1NOS1GRM2LMNASMN1; SMN2
SCHEMBL30657716 0.68 BACE1 (0.63) BACE1NOS1GRM2LMNASMN1; SMN2
SCHEMBL5845733 0.68 ALDH1A1 (0.43) NQO2
SCHEMBL28573272 0.68 ALDH1A1 (0.56) BACE1LMNANPC1RAB9ANQO2
SCHEMBL5201100 0.67 BACE1 (0.41) BACE1NOS1LMNASMN1; SMN2ENPP3
SCHEMBL3713340 0.67 BACE1 (0.41) BACE1NOS1GRM2LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6951880-B2 Aryl and heteroaryl compounds as antibacterial and antifungal agents GENELABS TECHNOLOGIES, INC. (US) 2005-10-04 US disclosed
EP-1417207-B1 PROCESS FOR PREPARING 2-(4-PYRIDYL) AMINO-6-DIALKYLOXYPHENYL-PYRIDO(2,3-D)PYRIMIDIN-7-ONES WARNER LAMBERT CO (US) 2005-08-31 EP disclosed
US-6900316-B2 Process for preparing 2-(4-pyridyl)amino-6-dialkyloxyphenyl-pyrido(2,3-d)pyrimidin-7-ones WARNER-LAMBER COMPANY (US) 2005-05-31 US disclosed
WO-2004047724-A2 ARYL AND HETEROARYL COMPOUNDS AS ANTIBACTERIAL AND ANTIFUNGAL AGENTS GENELABS TECHNOLOGIES, INC (US) 2004-06-10 WO disclosed
US-20030220340-A1 Aryl and heteroaryl compounds as antibacterial and antifungal agents GLAXOSMITHKLINE LLC 2003-11-27 US disclosed
US-20030176700-A1 Process for preparing 2-(4-pyridyl)amino-6-dialkyloxyphenyl-pyrido(2,3-d)pyrimidin-7-ones TJIONG HOWARD ISAAC (US) 2003-09-18 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-20030176700-A1 Process for preparing 2-(4-pyridyl)amino-6-dialkyloxyphenyl-pyrido(2,3-d)pyrimidin-7-ones DPYD, PDXK, AHR BACE1 4157/4885NOS1 4454/4885GRM2 2130/4885
US-20030220340-A1 Aryl and heteroaryl compounds as antibacterial and antifungal agents AADAC, ERG28, LSS BACE1 1939/4885NOS1 4057/4885GRM2 4651/4885

“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.