SCHEMBL2196379

SCHEMBL2196379

C[C@@H](c1ccc(C(O)c2ccncc2)cc1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.41
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
CYP17A1 P05093 1/20 0.41
CYP3A4 P08684 1/20 0.41
RAF1 P04049 1/20 0.41
ELANE P08246 1/20 0.36
HDAC3 O15379 1/20 0.33
CYP2C9 P11712 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
AKR1C3 P42330 1/20 0.33

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
SCHEMBL2196376 1.00 CYP19A1 (0.41) CYP19A1CYP11B1CYP11B2CYP17A1CYP3A4
SCHEMBL2198691 0.80 CYP2C19 (0.41) CYP3A4CYP2C9KDM4E
SCHEMBL1448846 0.78 ESR1 (0.42) CYP3A4CYP2C9HSD17B10
SCHEMBL2429212 0.78 ESR1 (0.42) CYP3A4CYP2C9HSD17B10
SCHEMBL2576026 0.76 ALOX5 (0.51) SMN1; SMN2
SCHEMBL2197076 0.76 ALOX5 (0.51) SMN1; SMN2
SCHEMBL1270470 0.76 ALOX5 (0.51) SMN1; SMN2
SCHEMBL2197771 0.76 PTGS2 (0.38) SMN1; SMN2KDM4E
SCHEMBL2195384 0.76 RIPK1 (0.37) CYP3A4SMN1; SMN2KDM4E
SCHEMBL2196410 0.76 RIPK1 (0.37) CYP3A4SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977336-B2 Aminopyrimidine derivatives as PLK1 inhibitors BANYU PHARMACEUTICAL CO. LTD (JP) 2011-07-12 US disclosed
EP-2116543-A1 NOVEL AMINOPYRIMIDINE DERIVATIVE AS PLK1 INHIBITOR BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-11-11 EP disclosed
US-20080305081-A1 Novel aminopyrimidine derivatives as PLK1 inhibitors BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-12-11 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-20080305081-A1 Novel aminopyrimidine derivatives as PLK1 inhibitors PLK1, AURKA, CDK1 CYP19A1 3226/4885CYP11B1 4041/4885CYP11B2 4265/4885

“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.