SCHEMBL4820458

SCHEMBL4820458

COc1ccccc1Sc1c(-c2c(F)cccc2Cl)c(Cl)nc2ncnn12

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
MBOAT4 Q96T53 2/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
PTPN11 Q06124 1/20 0.34
PDE2A O00408 1/20 0.34
DHFR P00374 2/20 0.34
MAP4K1 Q92918 1/20 0.34
P2RX7 Q99572 2/20 0.33
LMNA P02545 1/20 0.33
ENPP1 P22413 1/20 0.33
EGLN2 Q96KS0 1/20 0.33
ORAI1 Q96D31 1/20 0.33
POLB P06746 1/20 0.32
MAPT P10636 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
SCHEMBL7957236 0.89 ALDH1A1 (0.37) ALDH1A1KMT2APDE2ADHFRLMNA
SCHEMBL7954904 0.88 ALDH1A1 (0.39) ALDH1A1MAPK11MAPK14MEN1KMT2A
SCHEMBL7958836 0.87 MBOAT4 (0.37) ALDH1A1MBOAT4MEN1KMT2ANPC1
SCHEMBL7961823 0.83 ALDH1A1 (0.37) ALDH1A1MEN1KMT2ANPC1P2RX7
SCHEMBL7956946 0.82 ALDH1A1 (0.37) ALDH1A1MAPK11MAPK14MEN1KMT2A
SCHEMBL7956372 0.81 LMNA (0.40) ALDH1A1MEN1KMT2APDE2ALMNA
SCHEMBL4821535 0.79 ALDH1A1 (0.36) ALDH1A1MAPK11MAPK14KMT2APDE2A
SCHEMBL4819686 0.78 ALDH1A1 (0.37) ALDH1A1MEN1KMT2APDE2AENPP1
SCHEMBL7958677 0.78 ALDH1A1 (0.37) ALDH1A1MBOAT4MEN1KMT2APDE2A
SCHEMBL7958613 0.78 ALDH1A1 (0.39) ALDH1A1MBOAT4MEN1KMT2APDE2A

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-6277857-B1 EXCELLENT SELECTIVE FUNGICIDAL ACTIVITY AGAINST VARIOUS CROP PHYTOPATHOGENS AMERICAN CYANAMID COMPANY 2001-08-21 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
US-6277857-B1 EXCELLENT SELECTIVE FUNGICIDAL ACTIVITY AGAINST VARIOUS CROP PHYTOPATHOGENS AMERICAN CYANAMID COMPANY 2001-08-21 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 2231/4885MBOAT4 4469/4885MAPK11 1210/4885

“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.