SCHEMBL4821137

SCHEMBL4821137

Cc1cccc(-c2c(-c3c(F)cccc3Cl)c(Cl)nc3ncnn23)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
TSHR P16473 3/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
PTGES O14684 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
KDM4E B2RXH2 3/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
ENPP1 P22413 2/20 0.38
PDE2A O00408 1/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
EGLN2 Q96KS0 1/20 0.36

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
SCHEMBL4810439 0.87 ALDH1A1 (0.42) ALDH1A1TSHRKMT2APOLBPTGES
SCHEMBL7165653 0.82 ALDH1A1 (0.42) ALDH1A1TSHRKMT2APOLBKDM4E
SCHEMBL5731717 0.81 ALDH1A1 (0.46) ALDH1A1TSHRKMT2APOLBKDM4E
SCHEMBL5236413 0.80 ALDH1A1 (0.40) ALDH1A1TSHRKMT2APOLBPTGES
SCHEMBL4817444 0.78 ALDH1A1 (0.39) ALDH1A1TSHRKMT2APOLBCYP2C9
SCHEMBL4819849 0.77 MBOAT4 (0.44) ALDH1A1TSHRKMT2APOLBENPP1
SCHEMBL7956372 0.77 LMNA (0.40) ALDH1A1TSHRKMT2APOLBPTGES
SCHEMBL7958877 0.77 ALDH1A1 (0.41) ALDH1A1TSHRKMT2APOLBKDM4E
SCHEMBL6998016 0.77 ALDH1A1 (0.41) ALDH1A1TSHRKMT2APOLBENPP1
SCHEMBL6998549 0.77 ALDH1A1 (0.39) ALDH1A1TSHRKMT2APOLBENPP1

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 5 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
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 ALDH1A1 2231/4885TSHR 2567/4885KMT2A 2012/4885

“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.