SCHEMBL4815038

SCHEMBL4815038

CC1CCN(c2nc3ncnn3c(N3CCC(C)CC3)c2-c2c(F)cc(F)cc2F)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
GLA P06280 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 5/20 0.42
LMNA P02545 4/20 0.42
MAPT P10636 4/20 0.38
EGLN2 Q96KS0 1/20 0.38
TP53 P04637 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PDE2A O00408 5/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPK1 P28482 1/20 0.34
PAX2 Q02962 1/20 0.34
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 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
SCHEMBL976406 0.88 LMNA (0.47) TSHRGLANPSR1ALDH1A1LMNA
SCHEMBL81282 0.87 TSHR (0.41) TSHRGLANPSR1ALDH1A1LMNA
SCHEMBL5460885 0.85 TSHR (0.40) TSHRGLANPSR1ALDH1A1LMNA
SCHEMBL5096873 0.85 PDE2A (0.39) TSHRGLANPSR1ALDH1A1LMNA
SCHEMBL5462930 0.84 EGLN2 (0.44) TSHRGLANPSR1ALDH1A1LMNA
SCHEMBL20439999 0.82 EGLN2 (0.42) TSHRGLANPSR1ALDH1A1LMNA
SCHEMBL3398384 0.80 TSHR (0.39) TSHRGLANPSR1ALDH1A1LMNA
SCHEMBL824994 0.80 ALDH1A1 (0.43) TSHRGLANPSR1ALDH1A1LMNA
SCHEMBL3610355 0.79 TSHR (0.40) TSHRGLANPSR1ALDH1A1LMNA
SCHEMBL14044052 0.79 TSHR (0.40) TSHRGLANPSR1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020068744-A1 Substituted-triazolopyrimidines as anticancer agents AMERICAN HOME PRODUCTS CORPORATION 2002-06-06 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

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 2567/4885GLA 3009/4885NPSR1 4247/4885

“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.