SCHEMBL7210200

SCHEMBL7210200

O=c1nc(-c2ccncc2)cc[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.50
CDC7 O00311 2/20 0.47
MAPT P10636 4/20 0.44
GSK3B P49841 5/20 0.43
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
AR P10275 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.40
MAP2K3 P46734 1/20 0.39
LMNA P02545 1/20 0.39
ROCK2 O75116 1/20 0.38
MAP4K4 O95819 1/20 0.38

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
SCHEMBL144673 0.82 CYP1A2 (0.53) MAPK1CDC7CYP1A2CYP2C9RAB9A
Hydrochloric Acid SCHEMBL28736083 0.80 CYP1A2 (0.52) MAPK1CDC7CYP1A2CYP2C9RAB9A
SCHEMBL30801230 0.79 MAPK1 (0.58) MAPK1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL3576025 0.79 MAPK1 (0.58) MAPK1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL2354303 0.78 MEN1 (0.46) MAPTNPC1RAB9ALMNA
SCHEMBL1003683 0.78 TRPV3 (0.43) CYP1A2CYP2C9
SCHEMBL3568751 0.77 MAP4K4 (0.44) MAPK1CDC7GSK3BPIK3CAPIK3CB
SCHEMBL2353912 0.76 PDGFRB (0.41) NPC1CDK2
SCHEMBL916878 0.76 CCNT1 (0.48) MAPK1CDC7GSK3BPIK3CDPIK3CA
SCHEMBL7222934 0.74 KDM4E (0.47) MAPK1GSK3BPIK3CGNPC1RAB9A

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-6610698-B2 Treatment of tumor necrosis factor-alpha, interleukin-1 beta, interleukin-6, and interleukin-8 mediated diseases AMGEN, INC. 2003-08-26 US disclosed
EP-1314732-A2 Substituted pyrimidine compounds and their use AMGEN INC. (US) 2003-05-28 EP disclosed
EP-1314731-A2 Substituted pyrimidine compounds and their use AMGEN INC. (US) 2003-05-28 EP disclosed
US-20030069425-A1 Substituted pyrimidine compounds and methods of use AMGEN INC. 2003-04-10 US disclosed
US-6410729-B1 ANALGESICS; ANTIDIABETIC AGENTS; ANTIINFLAMMATORY AGENTS AMGEN INC. 2002-06-25 US disclosed
CN-1246858-A Substituted pyrimidine compounds and their use AMGEN INC (US) 2000-03-08 CN 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-20030069425-A1 Substituted pyrimidine compounds and methods of use DPYD, IL6, IL1B MAPK1 508/4885CDC7 1912/4885MAPT 3161/4885

“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.