SCHEMBL4560197

SCHEMBL4560197

NC(=O)c1cnc(-c2ccccc2)nc1N

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.63
MAPT P10636 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
NPC1 O15118 2/20 0.63
RAB9A P51151 2/20 0.63
TP53 P04637 1/20 0.63
PDE4B Q07343 5/20 0.52
KMT2A Q03164 7/20 0.50
MEN1 O00255 6/20 0.50
HPGD P15428 2/20 0.50
LMNA P02545 2/20 0.49
MAPK1 P28482 1/20 0.47
ATM Q13315 1/20 0.47
PARP1 P09874 2/20 0.47
IKBKB O14920 1/20 0.46
CHEK2 O96017 1/20 0.46
MKNK1 Q9BUB5 1/20 0.46
KDM4E B2RXH2 1/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45

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
SCHEMBL5264050 0.88 ALDH1A1 (0.65) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL17610489 0.84 IKBKB (0.56) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL11257381 0.83 SMN1; SMN2 (0.56) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL11256378 0.83 SMN1; SMN2 (0.56) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL14543515 0.82 ALDH1A1 (0.49) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL30227955 0.82 PDE4B (0.51) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL22573798 0.81 ALDH1A1 (0.61) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL11251774 0.81 ALDH1A1 (0.53) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL1651796 0.78 PDE4B (0.47) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL12929707 0.78 ALDH1A1 (0.66) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
US-7504396-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-03-17 US disclosed
EP-1794135-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2007-06-13 EP 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
WO-2006037117-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-04-06 WO disclosed
US-20060069110-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2006-03-30 US 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 (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-20060069110-A1 Substituted heterocyclic compounds and methods of use MAPT, MYLK2, IAPP ALDH1A1 3019/4885MAPT 1/4885SMN1; SMN2 11/4885
US-20050209221-A1 Substituted heterocyclic compounds and methods of use ICOS, CD4, HLA-DRB1 ALDH1A1 1306/4885MAPT 353/4885SMN1; SMN2 422/4885

“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.