SCHEMBL19008980

SCHEMBL19008980

COC(=O)c1cc(C(C)C)cn1C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.40
MAPT P10636 4/20 0.39
HTT P42858 2/20 0.39
MAPK1 P28482 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 1/20 0.39
KDR P35968 1/20 0.35
THRB P10828 1/20 0.34
EED O75530 1/20 0.34
RBBP4 Q09028 1/20 0.34
SUZ12 Q15022 1/20 0.34
EZH2 Q15910 1/20 0.34
AEBP2 Q6ZN18 1/20 0.34
HDAC1 Q13547 2/20 0.33
BCHE P06276 1/20 0.33
HTR6 P50406 1/20 0.32
ATM Q13315 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL21643741 0.89 NR1H2 (0.38) NR1H2MAPTHTTMAPK1L3MBTL1
SCHEMBL21643729 0.87 NR1H2 (0.38) NR1H2MAPTHTTMAPK1L3MBTL1
SCHEMBL21643738 0.87 NR1H2 (0.38) NR1H2MAPTHTTMAPK1L3MBTL1
SCHEMBL14164204 0.82 NR1H2 (0.44) NR1H2MAPTL3MBTL1KDREED
SCHEMBL4131647 0.79 NR1H2 (0.42) NR1H2L3MBTL1NPC1RAB9AKDR
SCHEMBL7715247 0.79 NR1H2 (0.42) NR1H2L3MBTL1KDREEDRBBP4
SCHEMBL15284215 0.77 NR1H2 (0.40) NR1H2L3MBTL1KDREEDRBBP4
SCHEMBL21643765 0.76 NR1H2 (0.40) NR1H2L3MBTL1KDREEDRBBP4
SCHEMBL21366814 0.76 NR1H2 (0.40) NR1H2L3MBTL1KDREEDRBBP4
SCHEMBL19018459 0.76 THRB (0.34) MAPTTHRBTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9758509-B2 Substituted 3-(5-membered unsaturated heterocyclyl-1, 3-dihydro-indol-2-one's and derivatives thereof as kinase inhibitors ALLERGAN, INC. (US) 2017-09-12 US disclosed
US-9758509-B2 Substituted 3-(5-membered unsaturated heterocyclyl-1, 3-dihydro-indol-2-one's and derivatives thereof as kinase inhibitors ALLERGAN, INC. (US) 2017-09-12 US disclosed
US-20170174664-A1 SUBSTITUTED 3-(5-MEMBERED UNSATURATED HETEROCYCLYL-1, 3-DIHYDRO-INDOL-2-ONE'S AND DERIVATIVES THEREOF AS KINASE INHIBITORS ALLERGAN, INC. 2017-06-22 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-20170174664-A1 SUBSTITUTED 3-(5-MEMBERED UNSATURATED HETEROCYCLYL-1, 3-DIHYDRO-INDOL-2-ONE'S AND DERIVATIVES THEREOF AS KINASE INHIBITORS DSTYK, CDK2, ERBB2 NR1H2 2498/4885MAPT 3526/4885HTT 4228/4885

“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.