SCHEMBL5375907

SCHEMBL5375907

Cc1cc(NCCc2ccc(F)cc2)n2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)c2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.55
KDM4E B2RXH2 9/20 0.55
HPGD P15428 9/20 0.55
MAPT P10636 8/20 0.55
MEN1 O00255 6/20 0.55
KMT2A Q03164 6/20 0.55
NPSR1 Q6W5P4 3/20 0.55
MAPK1 P28482 4/20 0.47
TDP1 Q9NUW8 2/20 0.47
RAB9A P51151 2/20 0.47
LMNA P02545 4/20 0.47
GAA P10253 1/20 0.47
HSD17B10 Q99714 4/20 0.46
USP2 O75604 2/20 0.46
PI4KB Q9UBF8 1/20 0.45
HTT P42858 2/20 0.45
TSHR P16473 2/20 0.45
F2 P00734 1/20 0.45
CRHR1 P34998 1/20 0.44
NPY1R P25929 1/20 0.41

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
SCHEMBL4841371 0.85 MAPT (0.44) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL5380576 0.84 CRHR1 (0.62) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL5384379 0.84 KDM4E (0.59) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL16935070 0.81 PI4KB (0.67) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL5395449 0.79 ALDH1A1 (0.75) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL16934980 0.77 ALDH1A1 (0.75) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL14577345 0.77 MEN1 (0.62) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL5375242 0.77 MAPT (0.64) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL5391337 0.75 MAPT (0.49) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL16934942 0.73 KMT2A (0.72) ALDH1A1KDM4EHPGDMAPTMEN1

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-7176210-B2 Cannabinoid receptor ligands and uses thereof PFIZER INC. (US) 2007-02-13 US claimed
US-20040157838-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2004-08-12 US claimed
US-7235575-B2 Guanidine mimics as factor Xa inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2007-06-26 US disclosed
US-7176210-B2 Cannabinoid receptor ligands and uses thereof PFIZER INC. (US) 2007-02-13 US disclosed
US-20060040973-A1 1-Aminoisoindolyl derivatives and 3-amino- and 3-hydroxy- indazolyl-, benzisoxazolyl, and benzisothiazolyl- derivatives, e.g., 3-(3'-Aminobenzisoxazol-5'-yl)-5-[(2'-aminosulfonyl-[1,1']-biphen-4-yl)aminocarbonyl]-5-methylisoxazoline; treating thromboembolic disorders LAM PATRICK Y 2006-02-23 US disclosed
EP-1594872-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF Pfizer Products Inc. (US) 2005-11-16 EP disclosed
WO-2004069838-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2004-08-19 WO disclosed
US-20040157838-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2004-08-12 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 (2 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-20060040973-A1 1-Aminoisoindolyl derivatives and 3-amino- and 3-hydroxy- indazolyl-, benzisoxazolyl, and benzisothiazolyl- derivatives, e.g., 3-(3'-Aminobenzisoxazol-5'-yl)-5-[(2'-aminosulfonyl-[1,1']-biphen-4-yl)aminocarbonyl]-5-methylisoxazoline; treating thromboembolic disorders SERPINC1, F7, SERPINE1 ALDH1A1 606/4885KDM4E 232/4885HPGD 2057/4885
US-20040157838-A1 Cannabinoid receptor ligands and uses thereof CNR1, CNR2, GPR18 ALDH1A1 1683/4885KDM4E 3361/4885HPGD 1567/4885

“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.