SCHEMBL4820822

SCHEMBL4820822

CC1C=CC(C)N1c1c(-c2c(F)cccc2Cl)c(Cl)nc2ncnn12

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
GLA P06280 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 4/20 0.36
PDE2A O00408 4/20 0.36
KMT2A Q03164 3/20 0.34
ENPP1 P22413 1/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 2/20 0.32
GAA P10253 2/20 0.32
MBOAT4 Q96T53 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GFER P55789 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL4666569 0.86 TSHR (0.41) TSHRGLANPSR1ALDH1A1PDE2A
SCHEMBL4667797 0.85 GLA (0.39) TSHRGLANPSR1ALDH1A1PDE2A
SCHEMBL344327 0.83 TSHR (0.46) TSHRGLANPSR1ALDH1A1PDE2A
SCHEMBL4666576 0.82 PDE2A (0.40) TSHRGLANPSR1ALDH1A1PDE2A
SCHEMBL4665974 0.80 PDE2A (0.39) TSHRGLANPSR1ALDH1A1PDE2A
SCHEMBL8912954 0.80 PDE2A (0.43) TSHRGLANPSR1PDE2A
SCHEMBL4665970 0.80 PDE2A (0.37) TSHRGLANPSR1ALDH1A1PDE2A
SCHEMBL4820465 0.80 PDE2A (0.39) TSHRGLANPSR1ALDH1A1PDE2A
SCHEMBL8916197 0.80 PDE2A (0.39) TSHRGLANPSR1ALDH1A1PDE2A
SCHEMBL5236413 0.80 ALDH1A1 (0.40) TSHRALDH1A1PDE2AKMT2AENPP1

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 2567/4885GLA 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.