SCHEMBL16463607

SCHEMBL16463607

Cc1cccc(Oc2nc(N)nc(N)c2N)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.50
▸ LMNA P02545 3/20 0.48
▸ MAPT P10636 2/20 0.48
▸ GAA P10253 1/20 0.47
▸ MAP4K4 O95819 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ RAB9A P51151 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ ACHE P22303 4/20 0.42
▸ HTT P42858 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ BCHE P06276 3/20 0.41
▸ HEXA P06865 1/20 0.41
▸ HEXB P07686 1/20 0.41
▸ HRH4 Q9H3N8 1/20 0.41
▸ MRGPRX1 Q96LB2 1/20 0.41

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
SCHEMBL16462942 0.80 TEAD4 (0.47) ALDH1A1LMNAMAPTMAP4K4RAB9A
SCHEMBL16463309 0.80 ADORA2A (0.49) LMNAMAP4K4RAB9ATSHRHTT
SCHEMBL16462552 0.72 SMN1; SMN2 (0.53) ALDH1A1MAP4K4RAB9ATSHRCYP1A2
SCHEMBL16828235 0.72 ADORA2A (0.55) ALDH1A1LMNAMAPTRAB9ATSHR
SCHEMBL456868 0.71 ALDH1A1 (0.72) ALDH1A1LMNAMAPTGAAL3MBTL1
SCHEMBL29746015 0.71 ALDH1A1 (0.72) ALDH1A1LMNAMAPTGAAL3MBTL1
SCHEMBL29398372 0.71 ALDH1A1 (0.72) ALDH1A1LMNAMAPTGAAL3MBTL1
SCHEMBL21611499 0.71 LMNA (0.56) ALDH1A1LMNAMAPTGAAMAP4K4
SCHEMBL5042256 0.70 ALDH1A1 (0.61) ALDH1A1LMNAMAPTGAAMAP4K4
SCHEMBL29377828 0.69 ALDH1A1 (0.69) ALDH1A1LMNAMAPTGAAL3MBTL1

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 ALDH1A1 204/4885LMNA 2564/4885MAPT 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.

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