SCHEMBL4817006

SCHEMBL4817006

CCCCCCc1c(-c2c(F)cccc2Cl)c(Cl)nc2ncnn12

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
ENPP1 P22413 2/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
ATM Q13315 1/20 0.34
PDE2A O00408 2/20 0.33
KCNH2 Q12809 1/20 0.33
TP53 P04637 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
SCHEMBL4814229 0.99 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2KMT2AMEN1GAA
SCHEMBL6997181 0.96 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1GAAENPP1
SCHEMBL6995491 0.91 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1ENPP1POLB
SCHEMBL4810488 0.90 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2KMT2AMEN1GAA
SCHEMBL6998016 0.87 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1GAAENPP1
SCHEMBL4820443 0.83 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2KMT2AMEN1GAA
SCHEMBL4819336 0.83 MBOAT4 (0.36) ALDH1A1SMN1; SMN2KMT2AGAAENPP1
SCHEMBL4821182 0.82 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2KMT2AMEN1GAA
SCHEMBL7957250 0.82 ATM (0.43) ALDH1A1SMN1; SMN2KMT2AMEN1GAA
SCHEMBL4818702 0.82 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1GAAENPP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1054888-B1 FUNGICIDAL 7-ALKYL-TRIAZOLOPYRIMIDINES BASF AG (DE) 2003-11-26 EP claimed
US-20020068744-A1 Substituted-triazolopyrimidines as anticancer agents AMERICAN HOME PRODUCTS CORPORATION 2002-06-06 US claimed
US-6020338-A Fungicidal 7-alkyl-triazolopyrimidines AMERICAN CYANAMID COMPANY (US) 2000-02-01 US claimed
US-7329663-B2 Substituted-triazolopyrimidines as anticancer agents WYETH (US) 2008-02-12 US disclosed
EP-1359150-A2 A process and intermediates for the preparation of fungicidal 7-alkyl-triazolopyrimidines BASF AKTIENGESELLSCHAFT (DE) 2003-11-05 EP 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 2231/4885SMN1; SMN2 655/4885KMT2A 2012/4885

“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.