SCHEMBL4817440

SCHEMBL4817440

CC1CCN(c2c(-c3ccc([N+](=O)[O-])cc3Cl)c(Cl)nc3ncnn23)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
ALDH1A1 P00352 10/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 3/20 0.40
HSP90AA1 P07900 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 5/20 0.38
RECQL P46063 1/20 0.36
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SCD O00767 1/20 0.35

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
SCHEMBL5161199 0.93 ALDH1A1 (0.44) MAPTALDH1A1SMN1; SMN2HTTHSP90AA1
SCHEMBL4815288 0.91 MAPT (0.41) MAPTALDH1A1SMN1; SMN2HTTHSP90AA1
SCHEMBL3424653 0.83 PDE2A (0.45) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8917364 0.81 LMNA (0.44) MAPTALDH1A1SMN1; SMN2HTTMEN1
SCHEMBL8486163 0.77 ALDH1A1 (0.43) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL15341363 0.76 LMNA (0.43) MAPTALDH1A1SMN1; SMN2HTTMEN1
SCHEMBL4821392 0.76 KMT2A (0.44) MAPTALDH1A1SMN1; SMN2HTTMEN1
SCHEMBL3424814 0.75 PDE2A (0.46) MAPTALDH1A1SMN1; SMN2HTTMEN1
SCHEMBL5593378 0.74 PDE2A (0.42) MAPTALDH1A1SMN1; SMN2HTTMEN1
SCHEMBL5228613 0.74 LMNA (0.48) MAPTALDH1A1SMN1; SMN2HTTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020068744-A1 Substituted-triazolopyrimidines as anticancer agents AMERICAN HOME PRODUCTS CORPORATION 2002-06-06 US claimed
US-7329663-B2 Substituted-triazolopyrimidines as anticancer agents WYETH (US) 2008-02-12 US disclosed
US-20020068744-A1 Substituted-triazolopyrimidines as anticancer agents AMERICAN HOME PRODUCTS CORPORATION 2002-06-06 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-20020068744-A1 Substituted-triazolopyrimidines as anticancer agents TUBB3, TUBA1C, TUBB1 MAPT 56/4885ALDH1A1 2231/4885SMN1; SMN2 655/4885

“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.