SCHEMBL5494150

SCHEMBL5494150

Nc1nc(N)n2ccncc12

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.36
GAA P10253 5/20 0.36
KDM4E B2RXH2 4/20 0.36
CDC7 O00311 2/20 0.34
CDK2 P24941 2/20 0.34
ADORA2A P29274 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
ALOX15 P16050 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL21893808 0.76 MAPT (0.32) MAPTGAAKDM4ECDC7CDK2
SCHEMBL19699872 0.64 BRAF (0.41) MAPTGAAKDM4EALDH1A1HTT
SCHEMBL31164467 0.64 MAPT (0.44) MAPTGAAKDM4EALDH1A1HTT
SCHEMBL5495770 0.64 CHEK1 (0.31)
SCHEMBL18879057 0.64 RET (0.42) MAPTGAA
SCHEMBL5493382 0.64 HSP90AA1 (0.34) MAPTADORA2A
SCHEMBL21863289 0.62 MAPT (0.40) MAPTGAAKDM4EALDH1A1HTT
SCHEMBL5489446 0.62 MAPT (0.54) MAPTGAAKDM4EALDH1A1HTT
SCHEMBL5493377 0.62 NUDT1 (0.39) MAPTCDC7CDK2
SCHEMBL30122134 0.62 MAPT (0.40) MAPTCDC7CDK2ADORA2A

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-7306631-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-12-11 US disclosed
US-20050229333-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-10-20 US 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-20050229333-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, JUP MAPT 874/4885GAA 4403/4885KDM4E 1275/4885

“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.