SCHEMBL4872992

SCHEMBL4872992

CCc1ccc(-c2nnnn2C)cc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 5/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
KMT2A Q03164 2/20 0.43
ABCC9 O60706 1/20 0.39
ABCC8 Q09428 1/20 0.39
KCNJ11 Q14654 1/20 0.39
KCNJ8 Q15842 1/20 0.39
KMO O15229 1/20 0.39
CYP1A2 P05177 2/20 0.38
MEN1 O00255 1/20 0.38
ACLY P53396 1/20 0.37
HTT P42858 1/20 0.35
WNT1 P04628 1/20 0.35
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
TACR1 P25103 1/20 0.34
HTR2C P28335 1/20 0.34
LRRK2 Q5S007 1/20 0.34

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
SCHEMBL21388380 0.89 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1CYP2C9CYP2C19KMT2A
SCHEMBL3348708 0.82 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1CYP2C9CYP2C19KMT2A
SCHEMBL23023473 0.78 PPM1B (0.47) SMN1; SMN2ALDH1A1CYP2C9CYP2C19KMT2A
SCHEMBL6278071 0.76 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1CYP2C9CYP2C19KMT2A
SCHEMBL18378652 0.75 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1CYP2C9CYP2C19KMT2A
SCHEMBL3375138 0.74 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1CYP2C9CYP2C19KMT2A
SCHEMBL15508028 0.74 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1CYP2C9CYP2C19KMT2A
SCHEMBL30132245 0.74 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1CYP2C9CYP2C19KMT2A
SCHEMBL12375846 0.74 MAPT (0.57) SMN1; SMN2ALDH1A1CYP2C9CYP2C19KMT2A
SCHEMBL12879723 0.73 MEN1 (0.48) SMN1; SMN2ALDH1A1CYP2C9CYP2C19KMT2A

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-20080306067-A1 Modulators of Chemokine Receptor Activity WEIGAND KLAUS 2008-12-11 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-20080306067-A1 Modulators of Chemokine Receptor Activity CCR3, CCR1, CCR4 SMN1; SMN2 4305/4885ALDH1A1 906/4885CYP2C9 2808/4885

“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.