SCHEMBL16462552

SCHEMBL16462552

Cc1ccccc1Oc1nc(N)nc(N)c1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ HPGD P15428 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ MAP4K4 O95819 1/20 0.44
▸ DHFR P00374 2/20 0.40
▸ HEXA P06865 1/20 0.40
▸ HEXB P07686 1/20 0.40
▸ ACHE P22303 3/20 0.39
▸ BCHE P06276 2/20 0.39
▸ DCPS Q96C86 1/20 0.39
▸ NUDT1 P36639 1/20 0.38
▸ TP53 P04637 1/20 0.38

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 0.77 ADORA2A (0.49) SMN1; SMN2NPC1TSHRRAB9AMAP4K4
SCHEMBL16462942 0.74 TEAD4 (0.47) SMN1; SMN2HPGDALDH1A1MEN1KMT2A
SCHEMBL16463607 0.72 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL24309334 0.72 SMN1; SMN2 (0.46) SMN1; SMN2HPGDALDH1A1CYP1A2CYP2C9
SCHEMBL29566842 0.72 SMN1; SMN2 (0.46) SMN1; SMN2HPGDALDH1A1CYP1A2CYP2C9
SCHEMBL24309782 0.70 ADORA2A (0.47) SMN1; SMN2HPGDALDH1A1CYP1A2CYP2C9
SCHEMBL127000 0.70 TSHR (0.65) SMN1; SMN2HPGDALDH1A1CYP1A2CYP2C9
SCHEMBL29637724 0.70 TSHR (0.65) SMN1; SMN2HPGDALDH1A1CYP1A2CYP2C9
SCHEMBL24287258 0.69 ALDH1A1 (0.50) SMN1; SMN2HPGDALDH1A1CYP1A2CYP2C9
SCHEMBL9858859 0.69 SMN1; SMN2 (0.59) SMN1; SMN2HPGDALDH1A1CYP1A2CYP2C9

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 SMN1; SMN2 4835/4885HPGD 468/4885ALDH1A1 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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