SCHEMBL3110462

SCHEMBL3110462

CNC(=O)c1ccc(-c2cc(C)c(N)cc2C(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ BRAF P15056 1/20 0.39
▸ PLK1 P53350 3/20 0.39
▸ HTT P42858 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ USP7 Q93009 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ RPS6KA3 P51812 1/20 0.38
▸ HPGD P15428 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ GFER P55789 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
SCHEMBL13933678 0.84 CHEK2 (0.45) CHEK2MAPTTDP1HDAC2HDAC8
SCHEMBL3105774 0.80 ALDH1A1 (0.44) MAPTTDP1HTTHSP90AA1HPGD
SCHEMBL24023157 0.76 GAA (0.47) HDAC2HDAC8HDAC6HTTGAA
SCHEMBL10094454 0.75 ROCK2 (0.46) CHEK2HDAC2HDAC8HDAC6PLK1
SCHEMBL24023165 0.73 HDAC6 (0.46) HDAC2HDAC8HDAC6SMN1; SMN2
SCHEMBL22424262 0.73 PLAU (0.46) HDAC2HDAC8HDAC6BRAFPLK1
SCHEMBL3103361 0.72 RPS6KA3 (0.47) CHEK2MAPTHDAC2HDAC8HDAC6
SCHEMBL9324230 0.72 POLB (0.57) MAPTTDP1GAATSHRLMNA
SCHEMBL19346306 0.71 HTT (0.48) HDAC2HDAC8HDAC6PLK1HTT
SCHEMBL3102192 0.71 PLK1 (0.47) CHEK2HDAC2HDAC8HDAC6PLK1

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
US-8440681-B2 2-biphenylamino-4-aminopyrimidine derivatives as kinase inhibitors IRM LLC (BM) 2013-05-14 — — US disclosed
US-8440681-B2 2-biphenylamino-4-aminopyrimidine derivatives as kinase inhibitors IRM LLC (BM) 2013-05-14 — — US disclosed
US-8440681-B2 2-biphenylamino-4-aminopyrimidine derivatives as kinase inhibitors IRM LLC (BM) 2013-05-14 — — US disclosed
US-20100298295-A1 2-BIPHENYLAMINO-4-AMINOPYRIMIDINE DERIVATIVES AS KINASE INHIBITORS IRM LLC (BM) 2010-11-25 — — US disclosed
US-20100298295-A1 2-BIPHENYLAMINO-4-AMINOPYRIMIDINE DERIVATIVES AS KINASE INHIBITORS IRM LLC (BM) 2010-11-25 — — US disclosed
US-20100298295-A1 2-BIPHENYLAMINO-4-AMINOPYRIMIDINE DERIVATIVES AS KINASE INHIBITORS IRM LLC (BM) 2010-11-25 — — US disclosed
EP-2190826-A2 2-BIPHENYLAMINO-4-AMINOPYRIMIDINE DERIVATIVES AS KINASE INHIBITORS IRM LLC (BM) 2010-06-02 — — EP disclosed
WO-2009032668-A2 2 -BIPHENYLAMINO-4 -AMINOPYRIMIDINE DERIVATIVES AS KINASE INHIBITORS IRM LLC (BM) 2009-03-12 — — WO disclosed
WO-2009032668-A2 2 -BIPHENYLAMINO-4 -AMINOPYRIMIDINE DERIVATIVES AS KINASE INHIBITORS IRM LLC (BM) 2009-03-12 — — 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-20100298295-A1 2-BIPHENYLAMINO-4-AMINOPYRIMIDINE DERIVATIVES AS KINASE INHIBITORS IGF1R, IGFBP1, IRS1 CHEK2 221/4885MAPT 4095/4885TDP1 1292/4885

“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.

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