SCHEMBL4945534

SCHEMBL4945534

Nc1cccc(F)c1Nc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.50
KMT2A Q03164 8/20 0.50
MEN1 O00255 7/20 0.50
ALDH1A1 P00352 6/20 0.50
KDM4E B2RXH2 6/20 0.50
GAA P10253 5/20 0.50
LMNA P02545 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP2D6 P10635 1/20 0.50
TDP1 Q9NUW8 4/20 0.44
GFER P55789 2/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
ALOX12 P18054 2/20 0.43
CYP3A4 P08684 2/20 0.43
HTT P42858 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
JAK3 P52333 1/20 0.43

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
SCHEMBL21312751 0.85 KMT2A (0.53) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL11901629 0.78 MAPT (0.44) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL24237839 0.76 CXCR2 (0.51) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL11901586 0.76 MAPT (0.50) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL11901671 0.76 ALDH1A1 (0.50) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL11900726 0.76 CXCR2 (0.51) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL11900697 0.76 MAPT (0.41) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL11901284 0.76 MAPT (0.41) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL11901499 0.76 IDO1 (0.42) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL15940153 0.74 ALDH1A1 (0.54) MAPTKMT2AMEN1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8653089-B2 Heterocyclic compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2014-02-18 US disclosed
US-8653089-B2 Heterocyclic compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2014-02-18 US disclosed
US-8653089-B2 Heterocyclic compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2014-02-18 US disclosed
EP-2673269-A1 HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2013-12-18 EP disclosed
WO-2012107465-A1 HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-08-16 WO disclosed
WO-2012107465-A1 HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-08-16 WO disclosed
US-20120202785-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 US disclosed
US-20120202785-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 US disclosed
US-20120202785-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 US disclosed
US-20080161366-A1 AMINOALKYL SUBSTITUTED ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-07-03 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-20120202785-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, AKT3 MAPT 1752/4885KMT2A 4182/4885MEN1 2411/4885
US-20080161366-A1 AMINOALKYL SUBSTITUTED ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, SLC6A3 MAPT 97/4885KMT2A 1555/4885MEN1 4156/4885

“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.