SCHEMBL4559989

SCHEMBL4559989

Nc1ncc(C(=O)Nc2ccccc2)c(Oc2cccc(N3CCCC3=O)c2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
TSHR P16473 1/20 0.57
GAA P10253 1/20 0.47
HPGDS O60760 1/20 0.46
F10 P00742 2/20 0.45
KDR P35968 1/20 0.45
ALDH1A1 P00352 2/20 0.45
TP53 P04637 1/20 0.45
GLA P06280 1/20 0.45
PKM P14618 1/20 0.45
PTPN11 Q06124 1/20 0.45
ATM Q13315 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL4559143 0.81 KMT2A (0.51) MEN1KMT2ASMN1; SMN2ALDH1A1PTPN11
SCHEMBL4559175 0.78 MEN1 (0.55) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL4559990 0.73 ALDH1A1 (0.46) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL4489760 0.72 LCK (0.56) KDR
SCHEMBL5686120 0.72 RAB9A (0.53) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL4559385 0.71 MAPK10 (0.43) SMN1; SMN2KDRALDH1A1PTPN11HPGD
SCHEMBL4559637 0.71 PTPN11 (0.45) MEN1KMT2AGAAALDH1A1PTPN11
SCHEMBL11298985 0.68 PTPN11 (0.63) MEN1KMT2ATSHRALDH1A1TP53
SCHEMBL13919652 0.68 XPO1 (0.60) MEN1KMT2AKDRALDH1A1ITK
SCHEMBL5686140 0.68 SGMS2 (0.59) NPC1RAB9AMEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504396-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-03-17 US disclosed
EP-1648464-A1 2-AMINO-4-HYDROXY-5-PYRIMIDINCARBOXAMID DERIVATIVES AND RELATED COMPOUNDS AS T-CELL ACTIVATION INHIBITORS FOR THE TREATMENT OF INFLAMMATIONS AMGEN INC. (US) 2006-04-26 EP disclosed
US-20050209221-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-09-22 US disclosed
WO-2005009443-A1 2-AMINO-4-HYDROXY-5-PYRIMIDINECARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF T CELL ACTIVATION FOR THE TREATMENT OF INFLAMMATORY DISEASES AMGEN INC. (US) 2005-02-03 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 (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-20050209221-A1 Substituted heterocyclic compounds and methods of use ICOS, CD4, HLA-DRB1 NPC1 4710/4885RAB9A 4716/4885MEN1 134/4885

“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.