SCHEMBL4819802

SCHEMBL4819802

Fc1cc(F)c(-c2c(Cl)nc3ncnn3c2N2CCCCCC2)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
NPC1 O15118 1/20 0.36
PDE2A O00408 7/20 0.36
EGLN2 Q96KS0 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TSHR P16473 3/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
RAB9A P51151 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
GLA P06280 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PAX2 Q02962 1/20 0.33
APP P05067 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
SCHEMBL974960 1.00 LMNA (0.36) LMNAALDH1A1SMN1; SMN2NPC1PDE2A
SCHEMBL25616299 0.90 PAX2 (0.39) LMNAALDH1A1SMN1; SMN2PDE2AKDM4E
SCHEMBL25616316 0.90 PAX2 (0.39) LMNAALDH1A1SMN1; SMN2PDE2AKDM4E
SCHEMBL5183012 0.88 LMNA (0.34) LMNAALDH1A1SMN1; SMN2PDE2ATSHR
SCHEMBL14416878 0.88 PDE2A (0.37) LMNAALDH1A1SMN1; SMN2PDE2ATSHR
SCHEMBL974937 0.88 KDM1A (0.39) LMNAALDH1A1SMN1; SMN2PDE2AHSD17B10
SCHEMBL4817224 0.88 ALDH1A1 (0.34) LMNAALDH1A1SMN1; SMN2PDE2AKDM4E
SCHEMBL8916786 0.88 TSHR (0.40) LMNAALDH1A1SMN1; SMN2NPC1PDE2A
SCHEMBL4821987 0.88 TSHR (0.40) LMNAALDH1A1SMN1; SMN2NPC1PDE2A
SCHEMBL23925376 0.87 EGLN2 (0.46) PDE2AEGLN2

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-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
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
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
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 LMNA 2723/4885ALDH1A1 2231/4885SMN1; SMN2 655/4885

“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.