SCHEMBL4821695

SCHEMBL4821695

COc1ccc(-c2c(Cl)nc3ncnn3c2N2CCC(C)CC2C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.41
KDM4E B2RXH2 7/20 0.41
HPGD P15428 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
HSD17B10 Q99714 3/20 0.41
LMNA P02545 5/20 0.39
GAA P10253 3/20 0.39
GLA P06280 1/20 0.39
PDE2A O00408 3/20 0.38
PDE3A Q14432 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTT P42858 1/20 0.34
RECQL P46063 1/20 0.34
APP P05067 1/20 0.34
EGLN2 Q96KS0 3/20 0.34
MAPT P10636 2/20 0.34
TSHR P16473 2/20 0.34
MAPK1 P28482 2/20 0.33

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
SCHEMBL4821684 0.87 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL7488186 0.81 TSHR (0.38) ALDH1A1LMNAGLAPDE2AKMT2A
SCHEMBL4818776 0.80 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL4815099 0.80 TSHR (0.43) ALDH1A1KDM4ESMN1; SMN2LMNAGAA
SCHEMBL4818796 0.79 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL4819241 0.79 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL4811361 0.78 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL4818734 0.77 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL4815306 0.77 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL4813045 0.76 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1307200-A2 SUBSTITUTED-TRIAZOLOPYRIMIDINES AS ANTICANCER AGENTS Wyeth (US) 2003-05-07 EP claimed
US-20020068744-A1 Substituted-triazolopyrimidines as anticancer agents AMERICAN HOME PRODUCTS CORPORATION 2002-06-06 US claimed
WO-2002002563-A2 SUBSTITUTED-TRIAZOLOPYRIMIDINES AS ANTICANCER AGENTS WYETH (US) 2002-01-10 WO 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 2231/4885KDM4E 3074/4885HPGD 3005/4885

“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.