SCHEMBL12233232

SCHEMBL12233232

COC(=O)Cn1ncc2cc(Oc3ccc(F)cc3N)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.43
HDAC2 Q92769 3/20 0.43
HDAC1 Q13547 1/20 0.43
MAPK14 Q16539 2/20 0.42
MAP4K4 O95819 1/20 0.42
ABL1 P00519 1/20 0.42
NTRK1 P04629 1/20 0.42
FYN P06241 1/20 0.42
LYN P07948 1/20 0.42
RET P07949 1/20 0.42
BCR P11274 1/20 0.42
FGFR1 P11362 1/20 0.42
BRAF P15056 1/20 0.42
EPHA1 P21709 1/20 0.42
EPHA2 P29317 1/20 0.42
ABL2 P42684 1/20 0.42
FRK P42685 1/20 0.42
MAPK9 P45984 1/20 0.42
MAPKAPK2 P49137 1/20 0.42
IRAK1 P51617 1/20 0.42

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
SCHEMBL12216027 0.88 MAP4K4 (0.46) SYKHDAC2HDAC1MAPK14MAP4K4
Hydrochloric Acid SCHEMBL379388 0.87 MAP4K4 (0.45) SYKHDAC2HDAC1MAPK14MAP4K4
SCHEMBL378727 0.85 SYK (0.43) SYKMAPK14MAP4K4ABL1NTRK1
SCHEMBL655559 0.76 CHEK1 (0.54) SYKMAPK14ALDH1A1LMNAMAPT
SCHEMBL2443460 0.75 MAPK14 (0.44) MAPK14MAP4K4ABL1NTRK1FYN
SCHEMBL12216030 0.75 MAP4K4 (0.40) MAPK14MAP4K4ABL1NTRK1FYN
SCHEMBL2441913 0.73 GRIN2B (0.41) MAPK14MAP4K4ABL1NTRK1FYN
SCHEMBL14564354 0.72 SYK (0.48) SYKALDH1A1MAPTHSD17B10
SCHEMBL19023119 0.72 SYK (0.56) SYKHTR2AHTR2CALDH1A1LMNA
SCHEMBL24648552 0.72 SYK (0.43) SYKHSD17B10

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-8044083-B2 Kinase inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2011-10-25 US disclosed
US-8044083-B2 Kinase inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2011-10-25 US disclosed
US-20090023795-A1 Kinase Inhibitors And Methods Of Use Thereof ARRAY BIOPHARMA, INC. 2009-01-22 US disclosed
US-20090023795-A1 Kinase Inhibitors And Methods Of Use Thereof ARRAY BIOPHARMA, INC. 2009-01-22 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-20090023795-A1 Kinase Inhibitors And Methods Of Use Thereof MAP3K1, MAP3K19, MAP3K20 SYK 306/4885HDAC2 1272/4885HDAC1 933/4885

“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.