SCHEMBL5475452

SCHEMBL5475452

CC(C)=Nc1ccc(-c2ccc(N)c(N=C(C)C)c2)cc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.41
▸ TDP1 Q9NUW8 3/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ CYP3A4 P08684 5/20 0.38
▸ ALDH1A1 P00352 5/20 0.38
▸ HSD17B10 Q99714 4/20 0.38
▸ TSHR P16473 3/20 0.38
▸ ALOX15 P16050 2/20 0.38
▸ CYP17A1 P05093 1/20 0.35
▸ CYP19A1 P11511 1/20 0.35
▸ CYP11B1 P15538 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ KDM4E B2RXH2 3/20 0.33
▸ GFER P55789 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ MAPT P10636 3/20 0.32
▸ MAPK1 P28482 3/20 0.32

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
SCHEMBL5470900 0.92 CYP3A4 (0.43) KMT2ATDP1MEN1CYP3A4ALDH1A1
SCHEMBL5080855 0.92 KMT2A (0.42) KMT2ATDP1MEN1CYP3A4ALDH1A1
SCHEMBL5078693 0.91 TDP1 (0.54) KMT2ATDP1MEN1CYP3A4ALDH1A1
SCHEMBL5078700 0.91 TDP1 (0.54) KMT2ATDP1MEN1CYP3A4ALDH1A1
SCHEMBL5080857 0.85 TDP1 (0.52) KMT2ATDP1MEN1CYP3A4ALDH1A1
SCHEMBL5084688 0.78 ALDH1A1 (0.31) TDP1CYP3A4ALDH1A1HPGDESR2
SCHEMBL5080918 0.77 NOS1 (0.32) —
SCHEMBL5080917 0.75 PTK2 (0.35) KMT2AMEN1KDM4EMAPTUSP2
SCHEMBL15919036 0.75 ALDH1A1 (0.48) TDP1CYP3A4ALDH1A1HSD17B10TSHR
SCHEMBL5703601 0.73 PTK2 (0.40) —

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-20070032556-A1 Aromatic polyamine derivative DAICEL CHEMICAL INSUSTRIES, LTD. (JP) 2007-02-08 — — US disclosed
EP-1681284-A1 AROMATIC POLYAMINE DERIVATIVE Daicel Chemical Industries, Ltd. (JP) 2006-07-19 — — EP 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-20070032556-A1 Aromatic polyamine derivative SRM, PRMT1, KDM8 KMT2A 243/4885TDP1 1132/4885MEN1 1236/4885

“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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