SCHEMBL4817293

SCHEMBL4817293

Fc1cccc(Cl)c1-c1c(Cl)nc2ncnn2c1N1CCC(Br)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.40
NPSR1 Q6W5P4 3/20 0.40
GLA P06280 1/20 0.40
PDE2A O00408 9/20 0.39
SMN1; SMN2 Q16637 5/20 0.35
MAPT P10636 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 5/20 0.35
LMNA P02545 4/20 0.34
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 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
SCHEMBL4817651 0.95 TSHR (0.41) TSHRNPSR1GLAPDE2ASMN1; SMN2
SCHEMBL344327 0.89 TSHR (0.46) TSHRNPSR1GLAPDE2ASMN1; SMN2
SCHEMBL4819468 0.88 TSHR (0.39) TSHRNPSR1GLAPDE2ASMN1; SMN2
SCHEMBL4820465 0.87 PDE2A (0.39) TSHRNPSR1GLAPDE2ASMN1; SMN2
SCHEMBL8916197 0.87 PDE2A (0.39) TSHRNPSR1GLAPDE2ASMN1; SMN2
SCHEMBL4821049 0.87 TSHR (0.42) TSHRNPSR1GLAPDE2ASMN1; SMN2
SCHEMBL4666613 0.86 PDE2A (0.39) TSHRNPSR1GLAPDE2ASMN1; SMN2
SCHEMBL4821568 0.85 ALDH1A1 (0.39) TSHRNPSR1GLAPDE2ASMN1; SMN2
SCHEMBL4810483 0.85 TSHR (0.48) TSHRNPSR1GLAPDE2ASMN1; SMN2
SCHEMBL4818887 0.85 TSHR (0.37) TSHRNPSR1GLAPDE2ASMN1; SMN2

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 TSHR 2567/4885NPSR1 4247/4885GLA 3009/4885

“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.