SCHEMBL4820872

SCHEMBL4820872

CC(Nc1c(-c2ccccc2Cl)c(Cl)nc2ncnn12)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.38
EGLN2 Q96KS0 1/20 0.36
MBOAT4 Q96T53 1/20 0.34
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
ENPP1 P22413 2/20 0.33
POLB P06746 1/20 0.33
IDH1 O75874 4/20 0.33
IDH2 P48735 3/20 0.33
PDE2A O00408 2/20 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
SCHEMBL5232228 0.87 KDM4E (0.42) ALDH1A1LMNAMBOAT4KDM4EHPGD
SCHEMBL4819474 0.85 ALDH1A1 (0.34) ALDH1A1LMNAMBOAT4ENPP1POLB
SCHEMBL6995720 0.85 LMNA (0.36) ALDH1A1LMNAEGLN2MBOAT4KDM4E
SCHEMBL4819631 0.83 IDH1 (0.36) ALDH1A1MBOAT4HPGDPOLBIDH1
SCHEMBL7958987 0.83 ALDH1A1 (0.36) ALDH1A1LMNAMBOAT4KDM4EHPGD
SCHEMBL4820252 0.82 MAPK1 (0.40) ALDH1A1MBOAT4KDM4EHPGDPOLB
SCHEMBL4488801 0.82 MAPK1 (0.40) ALDH1A1MBOAT4KDM4EHPGDPOLB
SCHEMBL5328072 0.81 TSHR (0.33) ALDH1A1MBOAT4HPGDIDH1IDH2
SCHEMBL4816593 0.81 ALDH1A1 (0.36) ALDH1A1LMNAMBOAT4KDM4EHPGD
SCHEMBL4820556 0.81 ALDH1A1 (0.46) ALDH1A1LMNAMBOAT4KDM4EHPGD

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
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
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 2231/4885LMNA 2723/4885EGLN2 3423/4885

“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.