SCHEMBL4813045

SCHEMBL4813045

CC1CCN(c2c(-c3ccc(Oc4ccccc4)cc3)c(Cl)nc3ncnn23)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
LMNA P02545 5/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
XBP1 P17861 1/20 0.45
CYP2C19 P33261 1/20 0.45
STAT3 P40763 1/20 0.45
HTT P42858 1/20 0.45
MAPT P10636 3/20 0.43
TSHR P16473 2/20 0.43
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TNK2 Q07912 5/20 0.40
HPGD P15428 2/20 0.39
GLA P06280 2/20 0.39
EGLN2 Q96KS0 1/20 0.39

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
SCHEMBL5228613 0.90 LMNA (0.48) ALDH1A1LMNASMN1; SMN2NPSR1CYP2C9
SCHEMBL4821684 0.89 ALDH1A1 (0.47) ALDH1A1LMNASMN1; SMN2NPSR1HTT
SCHEMBL4822505 0.85 SMN1; SMN2 (0.46) ALDH1A1LMNASMN1; SMN2NPSR1HTT
SCHEMBL4815306 0.84 ALDH1A1 (0.41) ALDH1A1LMNASMN1; SMN2NPSR1CYP1A2
SCHEMBL4810454 0.84 EGLN2 (0.41) ALDH1A1LMNASMN1; SMN2NPSR1HTT
SCHEMBL4819308 0.82 TP53 (0.42) ALDH1A1LMNASMN1; SMN2NPSR1HTT
SCHEMBL4819279 0.82 EGLN2 (0.40) ALDH1A1LMNASMN1; SMN2NPSR1HTT
SCHEMBL8917364 0.80 LMNA (0.44) ALDH1A1LMNASMN1; SMN2NPSR1HTT
SCHEMBL15341363 0.79 LMNA (0.43) ALDH1A1LMNASMN1; SMN2NPSR1HTT
SCHEMBL4820964 0.79 PDE2A (0.42) ALDH1A1LMNANPSR1MAPTTSHR

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 ALDH1A1 2231/4885LMNA 2723/4885SMN1; 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.