SCHEMBL20148798

SCHEMBL20148798

CC(C)c1cn[nH]c1-c1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.50
MAPK13 O15264 2/20 0.50
MAPK12 P53778 2/20 0.50
MAPK11 Q15759 2/20 0.50
HTR1A P08908 2/20 0.45
HTR7 P34969 2/20 0.45
HTR2B P41595 2/20 0.45
HTR6 P50406 2/20 0.45
TGFBR1 P36897 2/20 0.43
PIK3CA P42336 1/20 0.42
MAPT P10636 3/20 0.41
HTR1D P28221 1/20 0.41
HTR3A P46098 1/20 0.41
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TRPA1 O75762 1/20 0.38
THRB P10828 1/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GCGR P47871 1/20 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
SCHEMBL12277788 0.81 RPS6KA3 (0.47) MAPK14HTR1AHTR7HTR2BHTR6
SCHEMBL26452828 0.79 KMT2A (0.63) HTR1AHTR7HTR2BHTR6MAPT
SCHEMBL12277760 0.77 KDM4E (0.46) MAPK14MAPK13MAPK12MAPK11THRB
SCHEMBL16231397 0.76 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11HTR1A
SCHEMBL27894706 0.76 MAPK14 (0.41) MAPK14MAPK13MAPK12MAPK11HTR1A
SCHEMBL1554445 0.72 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11HTR1A
SCHEMBL16225617 0.71 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11HTR1A
SCHEMBL16230706 0.71 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11HTR1A
SCHEMBL24746876 0.70
SCHEMBL26452836 0.68 HTR1A (0.54) HTR1AHTR7HTR2BHTR6TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180133212-A1 COMBINATION OF A BCL-2 INHIBITOR AND A BROMODOMAIN INHIBITOR FOR TREATING CANCER GILEAD SCIENCES, INC. 2018-05-17 US disclosed
US-20180133212-A1 COMBINATION OF A BCL-2 INHIBITOR AND A BROMODOMAIN INHIBITOR FOR TREATING CANCER GILEAD SCIENCES, INC. 2018-05-17 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-20180133212-A1 COMBINATION OF A BCL-2 INHIBITOR AND A BROMODOMAIN INHIBITOR FOR TREATING CANCER BCL2, BAK1, BRD4 MAPK14 2445/4885MAPK13 3078/4885MAPK12 2479/4885

“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.