SCHEMBL4820336

SCHEMBL4820336

CC(Nc1c(-c2cc(F)c(F)cc2F)c(Cl)nc2ncnn12)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
KMT2A Q03164 2/20 0.33
TSHR P16473 2/20 0.33
POLB P06746 1/20 0.33
GAA P10253 2/20 0.32
MEN1 O00255 1/20 0.32
EGLN2 Q96KS0 1/20 0.31
MAPK1 P28482 2/20 0.31
ALOX15 P16050 1/20 0.31
LMNA P02545 1/20 0.30
RAB9A P51151 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CRHR1 P34998 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL5593127 0.93 TSHR (0.35) ALDH1A1KMT2ATSHRPOLBGAA
SCHEMBL4818746 0.90 MBOAT4 (0.36) ALDH1A1KMT2ATSHRPOLBMEN1
SCHEMBL25616304 0.88 HTT (0.37) ALDH1A1KMT2ATSHRPOLBGAA
SCHEMBL80486 0.86 MAPK1 (0.35) ALDH1A1KMT2ATSHRPOLBGAA
SCHEMBL977522 0.86 MAPK1 (0.35) ALDH1A1KMT2ATSHRPOLBGAA
SCHEMBL3117730 0.86 MAPK1 (0.35) ALDH1A1KMT2ATSHRPOLBGAA
SCHEMBL5593220 0.85 CRHR1 (0.41) ALDH1A1TSHRGAALMNARAB9A
SCHEMBL25616307 0.85 ALDH1A1 (0.35) ALDH1A1KMT2ATSHRPOLBGAA
SCHEMBL23944195 0.84 EGLN2 (0.46) EGLN2
SCHEMBL5593412 0.84 TSHR (0.35) ALDH1A1KMT2ATSHRPOLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7329663-B2 Substituted-triazolopyrimidines as anticancer agents WYETH (US) 2008-02-12 US claimed
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 2231/4885KMT2A 2012/4885TSHR 2567/4885

“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.