SCHEMBL16482543

SCHEMBL16482543

CNc1nc(N)nc(Oc2ccc(C)cc2)c1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TEAD4 Q15561 1/20 0.42
▸ MAPT P10636 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ KCNH2 Q12809 2/20 0.38
▸ SCN5A Q14524 2/20 0.38
▸ SCN9A Q15858 2/20 0.38
▸ NUDT1 P36639 1/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ LMNA P02545 1/20 0.37
▸ DHFR P00374 1/20 0.36
▸ MMP13 P45452 1/20 0.35
▸ HPGD P15428 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ MAP4K4 O95819 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ APP P05067 1/20 0.34

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
SCHEMBL16482531 0.86 NUDT1 (0.51) NUDT1LMNADHFRHTTSMN1; SMN2
SCHEMBL16462942 0.80 TEAD4 (0.47) TEAD4MAPTALDH1A1POLBTDP1
SCHEMBL16465121 0.75 TEAD4 (0.42) TEAD4MAPTALDH1A1POLBTDP1
SCHEMBL13952887 0.72 CCNA2 (0.40) NUDT1DHFRBACE1PTPN1
SCHEMBL3487078 0.70 MEN1 (0.50) TEAD4MAPTALDH1A1POLBTDP1
SCHEMBL16482390 0.70 NLRP3 (0.46) NUDT1HPGDSMN1; SMN2APPPTPN1
SCHEMBL16463694 0.69 DHFR (0.47) MAPTSCN5ASCN9ANUDT1DHFR
SCHEMBL10485026 0.69 CHUK (0.40) NUDT1APPPTPN1
SCHEMBL16465508 0.68 SMN1; SMN2 (0.37) MAPTALDH1A1NUDT1LMNADHFR
SCHEMBL16828235 0.68 ADORA2A (0.55) MAPTALDH1A1POLBNUDT1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9364408-B2 Hair dye agent comprising aminopyrimidine derivatives HENKEL AG & CO. KGAA (DE) 2016-06-14 — — US disclosed
US-9364408-B2 Hair dye agent comprising aminopyrimidine derivatives HENKEL AG & CO. KGAA (DE) 2016-06-14 — — US disclosed
US-20150209258-A1 HAIR DYE AGENT COMPRISING AMINOPYRIMIDINE DERIVATIVES HENKEL AG & CO. KGAA (DE) 2015-07-30 — — US disclosed
US-20150209258-A1 HAIR DYE AGENT COMPRISING AMINOPYRIMIDINE DERIVATIVES HENKEL AG & CO. KGAA (DE) 2015-07-30 — — US disclosed
WO-2014056760-A1 HAIR DYE AGENT COMPRISING AMINOPYRIMIDINE DERIVATIVES HENKEL AG & CO. KGAA (DE) 2014-04-17 — — 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-20150209258-A1 HAIR DYE AGENT COMPRISING AMINOPYRIMIDINE DERIVATIVES KRT18, DPYD, DHFR TEAD4 785/4885MAPT 437/4885ALDH1A1 204/4885

“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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