SCHEMBL91098

SCHEMBL91098

CC(C)c1n[nH]c2cccc(P(O)O)c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 4/20 0.37
▸ KIT P10721 3/20 0.37
▸ FLT3 P36888 3/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ PDPK1 O15530 2/20 0.37
▸ CDK5 Q00535 2/20 0.37
▸ ROCK1 Q13464 2/20 0.37
▸ CLK4 Q9HAZ1 2/20 0.37
▸ POLB P06746 2/20 0.37
▸ MAPK8 P45983 2/20 0.37
▸ MAPK9 P45984 2/20 0.37
▸ MAPK10 P53779 2/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ TTK P33981 2/20 0.37
▸ CHEK1 O14757 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ CDC7 O00311 1/20 0.37
▸ PLK4 O00444 1/20 0.37
▸ IKBKB O14920 1/20 0.37

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
SCHEMBL62421 0.75 KDR (0.38) KDRKITFLT3MAPK1PDPK1
SCHEMBL61904 0.75 PDPK1 (0.40) KDRKITFLT3MAPK1PDPK1
SCHEMBL19134544 0.72 HTR2A (0.48) KDRKITFLT3MAPK1PDPK1
SCHEMBL347644 0.66 KDM4E (0.52) PDPK1POLBMAPK10CYP1A2TTK
SCHEMBL30450258 0.63 BRD4 (0.34) TTKJAK1TYK2JAK3GAA
SCHEMBL878572 0.63 BRD4 (0.34) TTKJAK1TYK2JAK3GAA
SCHEMBL31532701 0.63 — —
SCHEMBL13834175 0.63 GRM4 (0.47) MAPK1POLBMEN1AURKANPC1
SCHEMBL13119824 0.62 GRM4 (0.48) KDRFLT3CDK5TTKCHEK1
SCHEMBL18368384 0.62 CYP1A2 (0.41) KDRKITFLT3MAPK1PDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129395-B2 4,5-disubstituted-2-aryl pyrimidines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-03-06 — — US disclosed
US-20100022516-A1 4,5-Disubstituted-2-aryl pyrimidines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2010-01-28 — — 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 (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-20100022516-A1 4,5-Disubstituted-2-aryl pyrimidines C5AR2, C5AR1, C3AR1 KDR 184/4885KIT 341/4885FLT3 565/4885

“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.

Send feedback