SCHEMBL4770380

SCHEMBL4770380

O=C(NCCCn1ccnc1)c1ccc(Br)cc1

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.78
NPC1 O15118 1/20 0.78
POLB P06746 1/20 0.75
ALDH1A1 P00352 3/20 0.70
MAPT P10636 1/20 0.70
TSHR P16473 1/20 0.70
KDM4E B2RXH2 1/20 0.69
HTT P42858 1/20 0.69
CYP19A1 P11511 1/20 0.67
GAA P10253 2/20 0.66
MEN1 O00255 1/20 0.66
KMT2A Q03164 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
LMNA P02545 1/20 0.65

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
SCHEMBL21098369 0.93 SMN1; SMN2 (0.89) SMN1; SMN2NPC1POLBALDH1A1MAPT
SCHEMBL4484066 0.88 SMN1; SMN2 (0.80) SMN1; SMN2NPC1POLBALDH1A1MAPT
SCHEMBL13211944 0.87 SMN1; SMN2 (0.78) SMN1; SMN2NPC1POLBALDH1A1MAPT
SCHEMBL6571604 0.87 SMN1; SMN2 (0.84) SMN1; SMN2NPC1POLBALDH1A1MAPT
SCHEMBL5257694 0.87 SMN1; SMN2 (0.78) SMN1; SMN2NPC1POLBALDH1A1MAPT
SCHEMBL95881 0.87 SMN1; SMN2 (0.78) SMN1; SMN2NPC1POLBALDH1A1MAPT
SCHEMBL16359671 0.87 SMN1; SMN2 (0.78) SMN1; SMN2NPC1POLBALDH1A1MAPT
SCHEMBL1775216 0.86 SMN1; SMN2 (0.82) SMN1; SMN2NPC1POLBALDH1A1MAPT
SCHEMBL16869708 0.85 KMT2A (0.75) SMN1; SMN2NPC1POLBKDM4EHTT
SCHEMBL13766445 0.85 SMN1; SMN2 (0.74) SMN1; SMN2NPC1POLBALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4568687-A THROMBOXANE SYNTHETASE TNZYME INHIBITORS; HYPOTENSIVE AGENTS, CARDIOTONIC AGENTS AMERICAN CYANAMID COMPANY (US) 1986-02-04 US claimed
EP-1423388-B1 2-ARYLAMINO-PYRIMIDINES FOR THE TREATMENT OF GSK3-RELATED DISORDERS ASTRAZENECA AB (SE) 2008-12-03 EP disclosed
US-7078410-B2 2-arylamino-pyrimidines for the treatment of GSK3-related disorders ASTRAZENECA AB (SE) 2006-07-18 US disclosed
US-6855719-B1 Imidazo[1,2-A]pyridine and pyrazolo[2,3-A]pyridine derivatives ASTRAZENECA AB (SE) 2005-02-15 US disclosed
US-20040106574-A1 2-Arylamino-pyrimidines for the treatment of gsk3-related disorders ASTRAZENECA AB (SE) 2004-06-03 US disclosed
EP-1423388-A2 2-ARYLAMINO-PYRIMIDINES FOR THE TREATMENT OF GSK3-RELATED DISORDERS AstraZeneca AB (SE) 2004-06-02 EP disclosed
EP-1214318-B1 IMIDAZO[1,2-A]PYRIDINE AND PYRAZOLO[2,3-A]PYRIDINE DERIVATIVES ASTRAZENECA AB (SE) 2003-10-08 EP disclosed
WO-2002066480-A2 2-ARYLAMINO-PYRIMIDINES FOR THE TREATMENT OF GSK3-RELATED DISORDERS ASTRAZENECA AB (SE) 2002-08-29 WO disclosed
EP-1214318-A1 IMIDAZO[1,2-A]PYRIDINE AND PYRAZOLO[2,3-A]PYRIDINE DERIVATIVES AstraZeneca AB (SE) 2002-06-19 EP disclosed
WO-2001014375-A1 IMIDAZO[1,2-A]PYRIDINE AND PYRAZOLO[2,3-A]PYRIDINE DERIVATIVES ASTRAZENECA AB (SE) 2001-03-01 WO disclosed
EP-0117462-A2 N-(2-4-(1H-imidazol-1-yl)alkyl)arylamides AMERICAN CYANAMID COMPANY (US) 1984-09-05 EP 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 (1 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-20040106574-A1 2-Arylamino-pyrimidines for the treatment of gsk3-related disorders GSK3A, GSK3B, CKS2 SMN1; SMN2 846/4885NPC1 3395/4885POLB 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.