SCHEMBL8226282

SCHEMBL8226282

CCOC(=O)C(=N)c1ccc(F)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49
RAB9A P51151 2/20 0.44
POLB P06746 1/20 0.44
TDP1 Q9NUW8 3/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 2/20 0.43
ALDH1A1 P00352 3/20 0.41
PTPN1 P18031 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL15591264 0.88 TSHR (0.49) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL22062270 0.84 MAPT (0.49) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL8226526 0.84 CES2 (0.61) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL367075 0.80 TSHR (0.57) MAPTMEN1KMT2ANPSR1CES2
SCHEMBL10040529 0.80 CES2 (0.46) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL15094405 0.80 MAPT (0.48) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL25415875 0.79 MAPT (0.47) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL13209732 0.79 MAPT (0.47) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL16063448 0.79 MAPT (0.47) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL13576765 0.79 MAPT (0.47) MAPTMEN1KMT2ANPSR1LMNA

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-9040706-B2 Pyrrolidine inhibitors of IAP GENENTECH, INC. (US) 2015-05-26 US disclosed
US-20140080805-A1 PYRROLIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2014-03-20 US disclosed
US-20070066620-A1 2-Heteroaryl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists MERCK SHARP & DOHME LLC 2007-03-22 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-20070066620-A1 2-Heteroaryl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists ADORA2A, ADORA3, ADORA1 MAPT 1773/4885MEN1 4008/4885KMT2A 3016/4885
US-20140080805-A1 PYRROLIDINE INHIBITORS OF IAP BIRC5, XIAP, BIRC2 MAPT 2677/4885MEN1 2380/4885KMT2A 3431/4885

“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.