SCHEMBL4811375

SCHEMBL4811375

FC(F)(F)CNc1c(-c2ccccc2Cl)c(Cl)nc2ncnn12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
LMNA P02545 1/20 0.39
MBOAT4 Q96T53 3/20 0.37
EGLN2 Q96KS0 1/20 0.37
ENPP1 P22413 3/20 0.35
HPGD P15428 4/20 0.34
KDM4E B2RXH2 4/20 0.34
TSHR P16473 2/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
PKM P14618 1/20 0.34
MAPK1 P28482 1/20 0.34
ALOX15 P16050 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
SCHEMBL6998118 0.90 ALDH1A1 (0.38) ALDH1A1LMNAMBOAT4EGLN2ENPP1
SCHEMBL4819483 0.84 MBOAT4 (0.36) ALDH1A1LMNAMBOAT4EGLN2ENPP1
SCHEMBL4817631 0.83 MBOAT4 (0.38) ALDH1A1LMNAMBOAT4ENPP1HPGD
SCHEMBL7960580 0.82 ALDH1A1 (0.38) ALDH1A1LMNAMBOAT4HPGDKDM4E
SCHEMBL6999148 0.82 MBOAT4 (0.36) ALDH1A1LMNAMBOAT4EGLN2HPGD
SCHEMBL6999194 0.81 ALDH1A1 (0.47) ALDH1A1LMNAMBOAT4EGLN2ENPP1
SCHEMBL6995496 0.81 MAPK1 (0.39) ALDH1A1MBOAT4HPGDKDM4ETSHR
SCHEMBL4820872 0.80 ALDH1A1 (0.38) ALDH1A1LMNAMBOAT4EGLN2ENPP1
SCHEMBL6999256 0.80 MBOAT4 (0.41) ALDH1A1LMNAMBOAT4HPGDKDM4E
SCHEMBL6992163 0.80 ENPP1 (0.41) ALDH1A1LMNAMBOAT4EGLN2ENPP1

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 12 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
EP-0975635-A1 FUNGICIDAL TRIFLUOROMETHYLALKYLAMINO-TRIAZOLOPYRIMIDINES AMERICAN CYANAMID COMPANY (US) 2000-02-02 EP claimed
WO-1998046608-A1 FUNGICIDAL TRIFLUOROMETHYLALKYLAMINO-TRIAZOLOPYRIMIDINES AMERICAN CYANAMID COMPANY (US) 1998-10-22 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
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
WO-2002002563-A2 SUBSTITUTED-TRIAZOLOPYRIMIDINES AS ANTICANCER AGENTS WYETH (US) 2002-01-10 WO 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 ALDH1A1 2231/4885LMNA 2723/4885MBOAT4 4469/4885

“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.