SCHEMBL4475964

SCHEMBL4475964

CNCCCOc1cc(F)c(-c2c(Cl)nc3ncnn3c2-c2ccccc2)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.42
POLB P06746 2/20 0.42
TSHR P16473 2/20 0.42
KMT2A Q03164 1/20 0.42
HTR1B P28222 2/20 0.38
KDM4E B2RXH2 8/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HPGD P15428 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPK1 P28482 2/20 0.35
MAPT P10636 1/20 0.35
LMNA P02545 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
USP2 O75604 1/20 0.35
HTR1D P28221 1/20 0.34
MBOAT4 Q96T53 1/20 0.34

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
SCHEMBL4492293 0.87 ALDH1A1 (0.37) ALDH1A1POLBTSHRKMT2AKDM4E
SCHEMBL4494003 0.87 LSS (0.40) ALDH1A1POLBTSHRKMT2AKDM4E
SCHEMBL4811916 0.84 ALDH1A1 (0.47) ALDH1A1POLBTSHRKMT2AKDM4E
SCHEMBL14565690 0.83 MBOAT4 (0.42) ALDH1A1POLBTSHRKMT2AMBOAT4
SCHEMBL4503017 0.83 ALDH1A1 (0.38) ALDH1A1POLBTSHRKMT2AMBOAT4
SCHEMBL973763 0.80 ALDH1A1 (0.43) ALDH1A1POLBTSHRKMT2AKDM4E
SCHEMBL4483618 0.79 ALDH1A1 (0.35) ALDH1A1POLBTSHRKMT2AKDM4E
SCHEMBL7165653 0.78 ALDH1A1 (0.42) ALDH1A1POLBTSHRKMT2AKDM4E
SCHEMBL4503015 0.78 PDE2A (0.35) ALDH1A1POLBTSHRKMT2A
SCHEMBL13933665 0.78 ALDH1A1 (0.35) ALDH1A1POLBTSHRKMT2AHTR1B

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 3 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
EP-1680425-B1 6- [(SUBSTITUTED)PHENYL] TRIAZOLOPYRIMIDINES AS ANTICANCER AGENTS WYETH CORP (US) 2007-01-10 EP 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 ALDH1A1 1838/4885POLB 1330/4885TSHR 3624/4885

“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.