SCHEMBL3105774

SCHEMBL3105774

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.44
▸ KMT2A Q03164 5/20 0.43
▸ MAPT P10636 4/20 0.43
▸ RAB9A P51151 4/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ PDK1 Q15118 1/20 0.42
▸ TSHR P16473 2/20 0.42
▸ CES2 O00748 1/20 0.41
▸ CES1 P23141 1/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ LMNA P02545 3/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ ATM Q13315 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ POLB P06746 2/20 0.39
▸ CTDSP1 Q9GZU7 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ HPGD P15428 1/20 0.39

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
SCHEMBL3110462 0.80 CHEK2 (0.41) MAPTTSHRLMNATDP1SMN1; SMN2
SCHEMBL1771042 0.75 ALDH1A1 (0.46) ALDH1A1KMT2AMAPTRAB9AMEN1
SCHEMBL385099 0.74 TSHR (0.68) ALDH1A1KMT2AMAPTRAB9AMEN1
SCHEMBL544644 0.74 TSHR (0.68) ALDH1A1KMT2AMAPTRAB9AMEN1
SCHEMBL24023157 0.72 GAA (0.47) ALDH1A1HTT
SCHEMBL3094526 0.72 ALDH1A1 (0.41) ALDH1A1KMT2AMAPTRAB9AMEN1
SCHEMBL10094454 0.71 ROCK2 (0.46) ALDH1A1RAB9ATSHRNPC1SMN1; SMN2
SCHEMBL24023165 0.70 HDAC6 (0.46) KMT2ARAB9AMEN1NPC1SMN1; SMN2
SCHEMBL30443513 0.69 PDK1 (0.45) ALDH1A1MAPTPDK1TSHRCES2
SCHEMBL22734863 0.68 CASP6 (0.62) ALDH1A1KMT2AMAPTRAB9AMEN1

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 4 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-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

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 ALDH1A1 329/4885KMT2A 1649/4885MAPT 4095/4885

“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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