SCHEMBL4820359

SCHEMBL4820359

FC(F)(F)c1ccccc1-c1c(Cl)nc2ncnn2c1N1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.39
TSHR P16473 4/20 0.39
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HTT P42858 1/20 0.39
NPY5R Q15761 1/20 0.38
LMNA P02545 2/20 0.38
PDE2A O00408 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
MBOAT4 Q96T53 2/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 2/20 0.36
POLB P06746 1/20 0.36
CYP1A2 P05177 5/20 0.35
CYP2C19 P33261 4/20 0.35
CYP3A4 P08684 2/20 0.35

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
SCHEMBL4821092 0.88 PDE2A (0.38) TSHRMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL8912330 0.85 TSHR (0.41) TSHRMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL8916382 0.85 LMNA (0.41) CNR2TSHRMAPTSMN1; SMN2MEN1
SCHEMBL4821793 0.80 TSHR (0.45) TSHRMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL8916786 0.78 TSHR (0.40) TSHRMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL4821987 0.78 TSHR (0.40) TSHRMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL4813093 0.77 TSHR (0.42) TSHRMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL25616320 0.76 PAX2 (0.44) TSHRMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL25616303 0.76 PAX2 (0.44) TSHRMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL8916197 0.75 PDE2A (0.39) TSHRMAPTSMN1; SMN2MEN1KMT2A

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 CNR2 4680/4885TSHR 2567/4885MAPT 56/4885

“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.