SCHEMBL4818796

SCHEMBL4818796

COc1ccc(-c2c(Cl)nc3ncnn3c2N2CCCCC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.58
KDM4E B2RXH2 7/20 0.58
SMN1; SMN2 Q16637 7/20 0.58
HPGD P15428 5/20 0.58
HSD17B10 Q99714 2/20 0.58
GAA P10253 3/20 0.44
LMNA P02545 5/20 0.44
GLA P06280 1/20 0.44
HTT P42858 2/20 0.43
RECQL P46063 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAOB P27338 1/20 0.41
PDE2A O00408 2/20 0.40
APP P05067 1/20 0.40
ESR1 P03372 1/20 0.40
MAPT P10636 3/20 0.39
NPC1 O15118 1/20 0.39
CYP1A2 P05177 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
SCHEMBL4819241 1.00 ALDH1A1 (0.58) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL4818734 0.89 ALDH1A1 (0.48) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL4821684 0.88 ALDH1A1 (0.47) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL4818776 0.88 ALDH1A1 (0.48) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL4811361 0.85 ALDH1A1 (0.45) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL4817255 0.84 KDM4E (0.47) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL4822430 0.84 SMN1; SMN2 (0.42) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL4821793 0.84 TSHR (0.45) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL4821403 0.84 ALDH1A1 (0.47) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL4820958 0.84 PDE2A (0.40) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10

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 7 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
EP-1307200-A2 SUBSTITUTED-TRIAZOLOPYRIMIDINES AS ANTICANCER AGENTS Wyeth (US) 2003-05-07 EP disclosed
US-20020068744-A1 Substituted-triazolopyrimidines as anticancer agents AMERICAN HOME PRODUCTS CORPORATION 2002-06-06 US disclosed
WO-2002002563-A2 SUBSTITUTED-TRIAZOLOPYRIMIDINES AS ANTICANCER AGENTS WYETH (US) 2002-01-10 WO 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 3074/4885SMN1; 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.