SCHEMBL19008978

SCHEMBL19008978

CC(C)c1ccn(CCCO[Si](C)(C)C(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DUT P33316 2/20 0.47
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
POLB P06746 1/20 0.34
KDM4E B2RXH2 2/20 0.34
HTT P42858 1/20 0.34
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL19335630 0.81 DUT (0.50) DUTKMT2AMEN1POLBKDM4E
SCHEMBL22748850 0.72 DUT (0.42) DUTKMT2AMEN1KDM4EHTT
SCHEMBL23174829 0.72 DUT (0.43) DUT
SCHEMBL7576935 0.69 KMT2A (0.54) DUTKMT2AMEN1POLBKDM4E
SCHEMBL27032644 0.69 DUT (0.43) DUTKMT2AMEN1POLB
SCHEMBL28881510 0.68 DUT (0.44) DUTKMT2AMEN1HTTLMNA
SCHEMBL10308261 0.68 NPC1 (0.33) POLBKDM4EHTTLMNA
SCHEMBL22748851 0.68 DUT (0.40) DUTKMT2AMEN1KDM4EHTT
SCHEMBL25744924 0.66 PDE2A (0.30)
SCHEMBL9752777 0.66 CA2 (0.43) DUT

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-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 DUT 860/4885KMT2A 1867/4885MEN1 3146/4885

“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.