SCHEMBL4489138

SCHEMBL4489138

CC(Nc1c(-c2c(F)cc(NCCC[N+](C)(C)C)cc2F)c(Cl)nc2ncnn12)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 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
SCHEMBL4477886 1.00 TSHR (0.30) TSHRALDH1A1POLBKMT2A
SCHEMBL4487797 0.88 EGLN2 (0.38) TSHRALDH1A1POLBKMT2A
SCHEMBL4478035 0.88 EGLN2 (0.38) TSHRALDH1A1POLBKMT2A
SCHEMBL5237546 0.88 EGLN2 (0.38) TSHRALDH1A1POLBKMT2A
SCHEMBL4492499 0.86 SMN1; SMN2 (0.38) TSHRALDH1A1POLBKMT2A
SCHEMBL4477784 0.86 SMN1; SMN2 (0.38) TSHRALDH1A1POLBKMT2A
SCHEMBL4484604 0.86 SMN1; SMN2 (0.38) TSHRALDH1A1POLBKMT2A
SCHEMBL16989313 0.83 ALDH1A1 (0.33) ALDH1A1
SCHEMBL15626553 0.83 ALDH1A1 (0.33) ALDH1A1
SCHEMBL343322 0.83 MAPK1 (0.35) TSHRALDH1A1POLBKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7507739-B2 6-[(substituted)phenyl]triazolopyrimidines as anticancer agents WYETH (US) 2009-03-24 US disclosed
US-20050090508-A1 6-[(Substituted)phenyl]triazolopyrimidines as anticancer agents WYETH HOLDINGS CORPORATION (US) 2005-04-28 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-20050090508-A1 6-[(Substituted)phenyl]triazolopyrimidines as anticancer agents ABCC1, ABCB1, TUBB6 TSHR 3624/4885ALDH1A1 1838/4885POLB 1330/4885

“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.