SCHEMBL4821793

SCHEMBL4821793

Clc1nc2ncnn2c(N2CCCCCC2)c1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
MAPT P10636 5/20 0.45
LMNA P02545 5/20 0.45
ALDH1A1 P00352 8/20 0.42
KDM4E B2RXH2 7/20 0.42
MAPK1 P28482 5/20 0.41
HSD17B10 Q99714 4/20 0.41
USP2 O75604 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
ADORA2A P29274 2/20 0.39
NPC1 O15118 1/20 0.39
RECQL P46063 1/20 0.39
RAB9A P51151 1/20 0.39
HPGD P15428 3/20 0.39
EGLN2 Q96KS0 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
SCHEMBL4822430 0.87 SMN1; SMN2 (0.42) TSHRSMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL5228613 0.85 LMNA (0.48) TSHRSMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL8916382 0.85 LMNA (0.41) TSHRSMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL4818796 0.84 ALDH1A1 (0.58) SMN1; SMN2MAPTLMNAALDH1A1KDM4E
SCHEMBL4820958 0.84 PDE2A (0.40) TSHRSMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL4819241 0.84 ALDH1A1 (0.58) SMN1; SMN2MAPTLMNAALDH1A1KDM4E
SCHEMBL8912330 0.83 TSHR (0.41) TSHRSMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL4821392 0.82 KMT2A (0.44) SMN1; SMN2MAPTLMNAALDH1A1KDM4E
SCHEMBL4821987 0.82 TSHR (0.40) TSHRSMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL8916786 0.82 TSHR (0.40) TSHRSMN1; SMN2MAPTLMNAALDH1A1

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 2567/4885SMN1; SMN2 655/4885MAPT 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.