SCHEMBL7517044

SCHEMBL7517044

CNc1nn(-c2ccccc2)c(C)c1N

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.64
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
MAPK1 P28482 2/20 0.46
HTT P42858 2/20 0.43
ALOX15 P16050 1/20 0.43
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
MAPT P10636 4/20 0.42
HPGD P15428 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
POLB P06746 2/20 0.41
APEX1 P27695 1/20 0.41
ALDH1A1 P00352 4/20 0.41
NPSR1 Q6W5P4 2/20 0.41
KDM4C Q9H3R0 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
SCHEMBL6966371 0.78 SMN1; SMN2 (1.00) SMN1; SMN2MEN1KMT2ACYP1A2CYP2C19
Water SCHEMBL11652814 0.77 SMN1; SMN2 (0.96) SMN1; SMN2MEN1KMT2ACYP1A2CYP2C19
SCHEMBL20037217 0.73 MEN1 (0.60) SMN1; SMN2MEN1KMT2ACYP1A2CYP2C19
SCHEMBL1800187 0.72 SMN1; SMN2 (0.64) SMN1; SMN2MEN1KMT2ACYP1A2CYP2C19
SCHEMBL1074115 0.70 SMN1; SMN2 (0.60) SMN1; SMN2MEN1KMT2ACYP1A2CYP2C19
SCHEMBL9871775 0.70 MAPK1 (0.59) MAPK1
SCHEMBL31706425 0.68 HPGD (0.52) SMN1; SMN2MEN1KMT2ACYP1A2HTT
SCHEMBL4880757 0.68 SMN1; SMN2 (0.57) SMN1; SMN2MEN1KMT2ACYP1A2CYP2C19
SCHEMBL34059 0.67 SMN1; SMN2 (0.72) SMN1; SMN2MEN1KMT2ACYP1A2CYP2C19
SCHEMBL2453964 0.66 SMN1; SMN2 (0.66) SMN1; SMN2MEN1KMT2ACYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020050013-A1 Composition for dyeing keratin fibers which contain at least one diaminopyrazole, dyeing process, novel diaminopyrazoles and process for their preparation L'OREAL 2002-05-02 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-20020050013-A1 Composition for dyeing keratin fibers which contain at least one diaminopyrazole, dyeing process, novel diaminopyrazoles and process for their preparation KRT18, DSP, TUBB3 SMN1; SMN2 4233/4885MEN1 4103/4885KMT2A 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.