SCHEMBL2284972

SCHEMBL2284972

C/C(C=O)=N\Nc1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 8/20 0.46
KMT2A Q03164 8/20 0.46
MAPT P10636 5/20 0.46
ALOX12 P18054 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
AHR P35869 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.42
HTT P42858 1/20 0.42
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
POLB P06746 3/20 0.40
THRB P10828 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
GAA P10253 3/20 0.38

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
SCHEMBL2284982 1.00 ALDH1A1 (0.50) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL2284980 1.00 ALDH1A1 (0.50) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL11752824 0.81 GFER (0.46) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL15279150 0.79 MAPT (0.51) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL18463191 0.78 ALDH1A1 (0.58) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL14701704 0.78 ALDH1A1 (0.46) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL518754 0.76 ALDH1A1 (0.51) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL23540865 0.74 ALDH1A1 (0.50) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL11672882 0.74 ALDH1A1 (0.50) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL20718836 0.73 ALDH1A1 (0.77) ALDH1A1KDM4EMEN1KMT2AMAPT

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-8003662-B2 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. (US) 2011-08-23 US disclosed
US-20110053931-A1 QUINOLINE COMPOUNDS AND METHODS OF USE GAUDINO JOHN 2011-03-03 US disclosed
CN-101528702-A Quinoline compounds and methods of use ARRAY BIOPHARMA INC (US) 2009-09-09 CN disclosed
EP-2032538-A2 QUINOLINE COMPOUNDS AND METHODS OF USE Array Biopharma, Inc. (US) 2009-03-11 EP disclosed
EP-1989211-A2 HETEROBICYCLIC THIOPHENE COMPOUNDS FOR THE TREATMENT OF CANCER Array Biopharma, Inc. (US) 2008-11-12 EP disclosed
WO-2008063202-A2 HETEROBICYCLIC THIOPHENE COMPOUNDS FOR THE TREATMENT OF CANCER ARRAY BIOPHARMA INC. (US) 2008-05-29 WO disclosed
WO-2007146824-A2 QUINOLINE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2007-12-21 WO disclosed
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. 2007-08-23 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-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ERBB2, LCK, SRC ALDH1A1 1635/4885KDM4E 3968/4885MEN1 3149/4885
US-20110053931-A1 QUINOLINE COMPOUNDS AND METHODS OF USE TK1, ABL1, ROR1 ALDH1A1 1526/4885KDM4E 4233/4885MEN1 853/4885

“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.