SCHEMBL4816593

SCHEMBL4816593

CC(Nc1c(-c2cc(Cl)ccc2Br)c(Cl)nc2ncnn12)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
TSHR P16473 2/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPK1 P28482 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
MBOAT4 Q96T53 4/20 0.32

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
SCHEMBL7958987 0.82 ALDH1A1 (0.36) ALDH1A1KDM4EHPGDTSHRPOLB
SCHEMBL4820872 0.81 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDPOLBLMNA
SCHEMBL4820252 0.81 MAPK1 (0.40) ALDH1A1KDM4EHPGDTSHRPOLB
SCHEMBL4488801 0.81 MAPK1 (0.40) ALDH1A1KDM4EHPGDTSHRPOLB
SCHEMBL25616317 0.80 HTT (0.37) ALDH1A1KDM4EHPGDTSHRPOLB
SCHEMBL4483453 0.79 ALDH1A1 (0.37) ALDH1A1KDM4EHPGDTSHRPOLB
SCHEMBL5232228 0.79 KDM4E (0.42) ALDH1A1KDM4EHPGDTSHRPOLB
SCHEMBL5593412 0.79 TSHR (0.35) ALDH1A1KDM4ETSHRPOLBKMT2A
SCHEMBL4818487 0.78 ENPP1 (0.34) ALDH1A1KDM4EHPGDTSHRPOLB
SCHEMBL976390 0.78 MAPK1 (0.35) ALDH1A1KDM4EHPGDTSHRPOLB

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 8 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
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 ALDH1A1 2231/4885KDM4E 3074/4885HPGD 3005/4885

“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.