SCHEMBL3094526

SCHEMBL3094526

C=Cc1cc(-c2ccc(C(=O)NC)cc2)c(C)cc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.41
▸ KMT2A Q03164 5/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ MAPT P10636 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ TSHR P16473 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ ERN1 O75460 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ POLB P06746 2/20 0.36
▸ CTDSP1 Q9GZU7 1/20 0.36
▸ HCAR3 P49019 1/20 0.36
▸ BRAF P15056 1/20 0.36

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
SCHEMBL1771042 0.81 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1MAPTRAB9A
SCHEMBL3105774 0.72 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1MAPTRAB9A
SCHEMBL2724414 0.72 ERN1 (0.50) ALDH1A1MAPTTSHRLMNAERN1
SCHEMBL385099 0.70 TSHR (0.68) ALDH1A1KMT2AMEN1MAPTRAB9A
SCHEMBL544644 0.70 TSHR (0.68) ALDH1A1KMT2AMEN1MAPTRAB9A
SCHEMBL15247797 0.69 HCAR3 (0.51) ALDH1A1KMT2AMEN1MAPTRAB9A
SCHEMBL13933678 0.68 CHEK2 (0.45) MAPTTSHRTDP1SMN1; SMN2BRAF
SCHEMBL8665248 0.67 TSHR (0.40) ALDH1A1MAPTRAB9ATSHRATM
SCHEMBL22734863 0.67 CASP6 (0.62) ALDH1A1KMT2AMEN1MAPTRAB9A
SCHEMBL18837900 0.67 MAPT (0.58) ALDH1A1KMT2AMEN1MAPTTSHR

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 1649/4885MEN1 3095/4885

“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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