SCHEMBL4820533

SCHEMBL4820533

COc1cc(F)c(-c2c(Cl)nc3ncnn3c2N2CCSCC2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 1/20 0.38
PDE2A O00408 8/20 0.35
MAPK1 P28482 1/20 0.35
APP P05067 1/20 0.34
MBOAT4 Q96T53 2/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
PDE1B Q01064 2/20 0.33
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL8519088 0.89 ALDH1A1 (0.46) SMN1; SMN2LMNAHTTRECQLALDH1A1
SCHEMBL4819202 0.89 ALDH1A1 (0.46) SMN1; SMN2LMNAHTTRECQLALDH1A1
SCHEMBL4817224 0.88 ALDH1A1 (0.34) SMN1; SMN2LMNAHTTALDH1A1KDM4E
SCHEMBL3601556 0.86 TSHR (0.39) SMN1; SMN2LMNAHTTRECQLALDH1A1
SCHEMBL6188798 0.85 SMN1; SMN2 (0.37) SMN1; SMN2LMNAHTTRECQLALDH1A1
SCHEMBL4820368 0.85 SMN1; SMN2 (0.39) SMN1; SMN2LMNAHTTRECQLALDH1A1
SCHEMBL6188442 0.84 PDE2A (0.39) SMN1; SMN2LMNAHTTRECQLALDH1A1
SCHEMBL6186524 0.83 PDE2A (0.39) SMN1; SMN2LMNAHTTRECQLALDH1A1
SCHEMBL4818734 0.83 ALDH1A1 (0.48) SMN1; SMN2LMNAHTTRECQLALDH1A1
SCHEMBL6189796 0.81 SMN1; SMN2 (0.41) SMN1; SMN2LMNAALDH1A1KDM4EHPGD

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 SMN1; SMN2 655/4885LMNA 2723/4885HTT 830/4885

“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.