SCHEMBL4814293

SCHEMBL4814293

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

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 2/20 0.32
ENPP1 P22413 3/20 0.32
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
LMNA P02545 1/20 0.30
CYP1A2 P05177 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
SCHEMBL7830076 0.89 MAPK1 (0.39) KMT2AALDH1A1POLBTSHRMAPK1
SCHEMBL4819476 0.88 MAPK1 (0.39) KMT2AALDH1A1POLBTSHRMAPK1
SCHEMBL4810611 0.85 ALDH1A1 (0.33) KMT2AALDH1A1POLBTSHRMAPK1
SCHEMBL6991919 0.85 MBOAT4 (0.32) KMT2AALDH1A1POLBTSHRMAPK1
SCHEMBL7833588 0.85 ENPP1 (0.36) KMT2AALDH1A1POLBTSHRMAPK1
SCHEMBL7832550 0.83 KMT2A (0.32) KMT2AALDH1A1POLBTSHRMAPK1
SCHEMBL7821854 0.83 KMT2A (0.36) KMT2AALDH1A1POLBTSHRMAPK1
SCHEMBL7833025 0.81 MAPK1 (0.44) KMT2AALDH1A1POLBTSHRMAPK1
SCHEMBL7833016 0.80 KMT2A (0.34) KMT2AALDH1A1POLBTSHRMAPK1
SCHEMBL7833106 0.80 ENPP1 (0.36) KMT2AALDH1A1POLBTSHRMAPK1

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-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
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

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 KMT2A 2012/4885ALDH1A1 2231/4885POLB 1224/4885

“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.