SCHEMBL4817199

SCHEMBL4817199

Cc1ccccc1-c1c(Cl)nc2ncnn2c1N(CC(F)(F)F)CC(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 8/20 0.40
USP2 O75604 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MBOAT4 Q96T53 2/20 0.36
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
TP53 P04637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 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
SCHEMBL6999096 0.95 ENPP1 (0.38) ENPP1USP2ALDH1A1MBOAT4TP53
SCHEMBL4819717 0.92 ENPP1 (0.36) ENPP1USP2ALDH1A1MBOAT4MEN1
SCHEMBL6988398 0.91 ENPP1 (0.36) ENPP1USP2ALDH1A1MBOAT4TP53
SCHEMBL6998183 0.90 ENPP1 (0.41) ENPP1USP2ALDH1A1MBOAT4
SCHEMBL6992163 0.89 ENPP1 (0.41) ENPP1ALDH1A1MBOAT4KDM4EPOLB
SCHEMBL6992998 0.88 MBOAT4 (0.36) ENPP1ALDH1A1MBOAT4KDM4EPOLB
SCHEMBL6996291 0.85 ENPP1 (0.41) ENPP1ALDH1A1MBOAT4TP53L3MBTL1
SCHEMBL6991743 0.84 ENPP1 (0.36) ENPP1ALDH1A1MBOAT4KDM4EPOLB
SCHEMBL6994040 0.82 ENPP1 (0.34) ENPP1ALDH1A1MBOAT4KDM4EPOLB
SCHEMBL6996424 0.81 MBOAT4 (0.38) ENPP1ALDH1A1MBOAT4KDM4EPOLB

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-0975635-B1 FUNGICIDAL TRIFLUOROMETHYLALKYLAMINO-TRIAZOLOPYRIMIDINES BASF AG (DE) 2003-05-07 EP 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-0975635-B1 FUNGICIDAL TRIFLUOROMETHYLALKYLAMINO-TRIAZOLOPYRIMIDINES BASF AG (DE) 2003-05-07 EP disclosed
US-20020068744-A1 Substituted-triazolopyrimidines as anticancer agents AMERICAN HOME PRODUCTS CORPORATION 2002-06-06 US disclosed
EP-0975635-A1 FUNGICIDAL TRIFLUOROMETHYLALKYLAMINO-TRIAZOLOPYRIMIDINES AMERICAN CYANAMID COMPANY (US) 2000-02-02 EP disclosed
WO-1998046608-A1 FUNGICIDAL TRIFLUOROMETHYLALKYLAMINO-TRIAZOLOPYRIMIDINES AMERICAN CYANAMID COMPANY (US) 1998-10-22 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 ENPP1 1402/4885USP2 4060/4885ALDH1A1 2231/4885

“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.