SCHEMBL21709586

SCHEMBL21709586

CC(C)c1cc(CN2CC[C@@H](N(C)C)C2)cc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.41
BCR P11274 2/20 0.41
DDR1 Q08345 2/20 0.41
DDR2 Q16832 2/20 0.41
MAP4K4 O95819 2/20 0.39
LTA4H P09960 1/20 0.39
TACR1 P25103 5/20 0.38
KCNH2 Q12809 1/20 0.37
CYP2D6 P10635 2/20 0.36
CCR5 P51681 1/20 0.36
CYP3A4 P08684 1/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
USP2 O75604 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
GRM2 Q14416 1/20 0.36
HDAC1 Q13547 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL19008144 0.85 MAP4K4 (0.49) MAP4K4LTA4HCCR5GRM2HDAC1
SCHEMBL21709587 0.84 ALDH1A1 (0.44) TACR1CYP2D6CYP3A4MEN1MAPK1
SCHEMBL22243488 0.84 ABL1 (0.43) ABL1BCRDDR1DDR2MAP4K4
SCHEMBL9609586 0.84 ABL1 (0.43) ABL1BCRDDR1DDR2MAP4K4
SCHEMBL14315491 0.84 ABL1 (0.43) ABL1BCRDDR1DDR2MAP4K4
SCHEMBL9610931 0.84 ABL1 (0.43) ABL1BCRDDR1DDR2MAP4K4
SCHEMBL24566587 0.82 MAP4K4 (0.45) ABL1BCRDDR1DDR2MAP4K4
SCHEMBL24192361 0.82 MAP4K4 (0.45) ABL1BCRDDR1DDR2MAP4K4
SCHEMBL24192780 0.82 MAP4K4 (0.45) ABL1BCRDDR1DDR2MAP4K4
SCHEMBL24192805 0.81 ABL1 (0.43) ABL1BCRDDR1DDR2MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200048288-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-02-13 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-20200048288-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 ABL1 16/4885BCR 621/4885DDR1 715/4885

“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.