SCHEMBL2280129

SCHEMBL2280129

Cn1c(NCc2ccccc2)ncc(-c2ccc(O)c(F)c2)c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 11/20 0.53
KDM4E B2RXH2 5/20 0.53
ALDH1A1 P00352 5/20 0.53
TP53 P04637 2/20 0.53
ALOX15 P16050 2/20 0.53
HSD17B10 Q99714 2/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KMT2A Q03164 3/20 0.48
CYP1A2 P05177 3/20 0.46
CYP2D6 P10635 3/20 0.46
CYP2C9 P11712 3/20 0.46
HPGD P15428 3/20 0.46
CYP2C19 P33261 3/20 0.46
CYP3A4 P08684 2/20 0.46
MEN1 O00255 2/20 0.45
GFER P55789 2/20 0.45
ALOX12 P18054 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL2284650 0.85 GAA (0.50) GAAKDM4EALDH1A1TP53ALOX15
SCHEMBL2288757 0.84 MET (0.58) ALDH1A1MAPK1CYP1A2METHGF
SCHEMBL2379712 0.81 MET (0.58) CYP3A4METHGFMST1R
SCHEMBL3117761 0.81 MET (0.39) METMST1R
SCHEMBL2855704 0.77 MET (0.58) GAACYP1A2METHGFMST1R
SCHEMBL2857915 0.75 MET (0.78) METHGFMST1R
SCHEMBL3915728 0.75 MET (0.42) ALDH1A1HSD17B10TSHRKMT2ACYP1A2
SCHEMBL3912802 0.74 MET (0.45) METMST1RFGFR1
SCHEMBL2285815 0.74 MET (0.54) METHGFMST1R
SCHEMBL15404767 0.74 MET (0.60) METHGFMST1R

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 4 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
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
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 (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-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ERBB2, LCK, SRC GAA 1103/4885KDM4E 3968/4885ALDH1A1 1635/4885

“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.