SCHEMBL16462942

SCHEMBL16462942

Cc1ccc(Oc2nc(N)nc(N)c2N)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TEAD4 Q15561 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.46
▸ MAPT P10636 3/20 0.46
▸ POLB P06746 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ LMNA P02545 1/20 0.43
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MAP4K4 O95819 1/20 0.41
▸ HEXA P06865 1/20 0.39
▸ HEXB P07686 1/20 0.39
▸ KCNH2 Q12809 2/20 0.38
▸ SCN5A Q14524 2/20 0.38
▸ SCN9A Q15858 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ ATM Q13315 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
SCHEMBL16463309 0.81 ADORA2A (0.49) LMNAMAP4K4HTTSMN1; SMN2NPC1
SCHEMBL16463607 0.80 ALDH1A1 (0.50) ALDH1A1MAPTLMNAMAP4K4HEXA
SCHEMBL16482543 0.80 TEAD4 (0.42) TEAD4ALDH1A1MAPTPOLBTDP1
SCHEMBL16465121 0.80 TEAD4 (0.42) TEAD4ALDH1A1MAPTPOLBTDP1
SCHEMBL16462552 0.74 SMN1; SMN2 (0.53) ALDH1A1MEN1KMT2AMAP4K4HEXA
SCHEMBL16828235 0.72 ADORA2A (0.55) ALDH1A1MAPTPOLBLMNAKMT2A
SCHEMBL13779344 0.69 SMN1; SMN2 (0.71) TEAD4ALDH1A1MAPTPOLBTDP1
SCHEMBL16828156 0.69 ADORA2A (0.47) ALDH1A1LMNAHTTSMN1; SMN2NPC1
SCHEMBL15015523 0.69 MAPT (0.44) TEAD4ALDH1A1MAPTPOLBTDP1
SCHEMBL6477195 0.68 DCPS (0.63) KCNH2

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-9364408-B2 Hair dye agent comprising aminopyrimidine derivatives HENKEL AG & CO. KGAA (DE) 2016-06-14 — — US claimed
EP-2906191-A1 HAIR DYE AGENT COMPRISING AMINOPYRIMIDINE DERIVATIVES Henkel AG&Co. KGAA (DE) 2015-08-19 — — EP claimed
US-20150209258-A1 HAIR DYE AGENT COMPRISING AMINOPYRIMIDINE DERIVATIVES HENKEL AG & CO. KGAA (DE) 2015-07-30 — — US claimed
WO-2014056760-A1 HAIR DYE AGENT COMPRISING AMINOPYRIMIDINE DERIVATIVES HENKEL AG & CO. KGAA (DE) 2014-04-17 — — WO claimed
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 785/4885ALDH1A1 204/4885MAPT 437/4885

“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.

Send feedback