SCHEMBL4819476

SCHEMBL4819476

CCN(CC(C)C)c1c(-c2c(F)cc(F)cc2F)c(Cl)nc2ncnn12

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
ENPP1 P22413 4/20 0.34
CRHR1 P34998 1/20 0.32
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
THRB P10828 1/20 0.31
PDE2A O00408 3/20 0.31
TP53 P04637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CDK1 P06493 1/20 0.31
CDK2 P24941 1/20 0.31
GSK3B P49841 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL7833025 0.91 MAPK1 (0.44) MAPK1LMNACYP1A2KMT2AALDH1A1
SCHEMBL4810611 0.89 ALDH1A1 (0.33) MAPK1LMNACYP1A2KMT2AALDH1A1
SCHEMBL4814293 0.88 KMT2A (0.33) MAPK1LMNACYP1A2KMT2AALDH1A1
SCHEMBL7821854 0.87 KMT2A (0.36) MAPK1LMNACYP1A2KMT2AALDH1A1
SCHEMBL7821107 0.86 KMT2A (0.36) MAPK1LMNACYP1A2KMT2AALDH1A1
SCHEMBL7833016 0.85 KMT2A (0.34) MAPK1LMNACYP1A2KMT2AALDH1A1
SCHEMBL6990564 0.85 MAPK1 (0.39) MAPK1LMNACYP1A2KMT2AALDH1A1
SCHEMBL7830076 0.84 MAPK1 (0.39) MAPK1LMNACYP1A2KMT2AALDH1A1
SCHEMBL4819244 0.83 MAPK1 (0.38) MAPK1LMNACYP1A2KMT2AALDH1A1
SCHEMBL7833106 0.83 ENPP1 (0.36) MAPK1KMT2AALDH1A1POLBTSHR

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 13 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-6297251-B1 Fungicidal trifluorophenyl-triazolopyrimidines AMERICAN CYANAMID CO. 2001-10-02 US claimed
EP-0975634-B1 FUNGICIDAL TRIFLUOROPHENYL-TRIAZOLOPYRIMIDINES BASF AG (DE) 2001-07-04 EP claimed
EP-0975634-A1 FUNGICIDAL TRIFLUOROPHENYL-TRIAZOLOPYRIMIDINES AMERICAN CYANAMID COMPANY (US) 2000-02-02 EP claimed
WO-1998046607-A1 FUNGICIDAL TRIFLUOROPHENYL-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
US-20020068744-A1 Substituted-triazolopyrimidines as anticancer agents AMERICAN HOME PRODUCTS CORPORATION 2002-06-06 US disclosed
US-6297251-B1 Fungicidal trifluorophenyl-triazolopyrimidines AMERICAN CYANAMID CO. 2001-10-02 US disclosed
EP-0975634-B1 FUNGICIDAL TRIFLUOROPHENYL-TRIAZOLOPYRIMIDINES BASF AG (DE) 2001-07-04 EP disclosed
US-6117876-A Fungicidal trifluorophenyl-triazolopyrimidines AMERICAN CYANAMID COMPANY (US) 2000-09-12 US disclosed
EP-0975634-A1 FUNGICIDAL TRIFLUOROPHENYL-TRIAZOLOPYRIMIDINES AMERICAN CYANAMID COMPANY (US) 2000-02-02 EP disclosed
WO-1998046607-A1 FUNGICIDAL TRIFLUOROPHENYL-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 MAPK1 916/4885LMNA 2723/4885CYP1A2 3972/4885

“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.