SCHEMBL3223663

SCHEMBL3223663

O=C(O)C1(c2ccc(Nc3nc(-c4ccc(F)cc4)cc(N4CCC(O)CC4)n3)cc2)CCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SCN9A Q15858 1/20 0.40
JAK2 O60674 3/20 0.39
JAK3 P52333 1/20 0.39
MAPK14 Q16539 1/20 0.38
CNR1 P21554 1/20 0.38
NPY2R P49146 1/20 0.37
PTGS2 P35354 1/20 0.36
APP P05067 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL3226000 0.89 MAPT (0.46) MAPTLMNAKDM4EJAK2JAK3
SCHEMBL3233949 0.85 PIM1 (0.39) JAK2JAK3NPY2RJAK1TYK2
SCHEMBL3451051 0.82 ALOX5 (0.47) MAPTMEN1LMNAKMT2AKDM4E
SCHEMBL3261463 0.80 MAPT (0.44) MAPTLMNAJAK2JAK3CYP3A4
SCHEMBL3450958 0.79 CA12 (0.48) MAPTMEN1KMT2AJAK2JAK3
SCHEMBL3260594 0.78 PIM1 (0.38) JAK2JAK3JAK1TYK2
SCHEMBL3228932 0.78 VCP (0.51) VCP
SCHEMBL3227518 0.78 MAPT (0.48) MAPTLMNAPOLBPTGS2APP
SCHEMBL3451064 0.78 PTGS2 (0.48) MAPTMEN1LMNAKMT2AKDM4E
SCHEMBL13341355 0.77 VCP (0.40) ALDH1A1PTGS2APPCYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 US claimed
WO-2010028179-A1 HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-03-11 WO claimed
US-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 US disclosed
US-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 US disclosed
US-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 US disclosed
WO-2010028179-A1 HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-03-11 WO disclosed
WO-2010028179-A1 HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-03-11 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-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS GATAD2B, GATAD2A, RUNX1 MAPT 4861/4885MEN1 1320/4885LMNA 4521/4885

“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.