SCHEMBL19204030

SCHEMBL19204030

Cc1nc2c(ccn2COCC[Si](C)(C)C)cc1N

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 6/20 0.40
NPC1 O15118 1/20 0.34
KLKB1 P03952 1/20 0.34
PDE10A Q9Y233 4/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
DUT P33316 1/20 0.30

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
SCHEMBL20767635 0.87 NPC1 (0.35) DGAT1NPC1KLKB1
Hydrochloric Acid SCHEMBL29722941 0.86 NPC1 (0.34) DGAT1NPC1KLKB1
Hydrochloric Acid SCHEMBL20767619 0.86 NPC1 (0.34) DGAT1NPC1KLKB1
SCHEMBL19203911 0.85 DGAT1 (0.41) DGAT1NPC1KLKB1PDE10A
Hydrochloric Acid SCHEMBL20767618 0.85 NPC1 (0.34) DGAT1NPC1KLKB1
SCHEMBL19204028 0.80 DGAT1 (0.34) DGAT1NPC1KLKB1PDE10AKDM4E
SCHEMBL3305424 0.80 DGAT1 (0.41) DGAT1NPC1MAPT
SCHEMBL20699444 0.79 KMT2A (0.41) DGAT1NPC1KLKB1KDM4EMEN1
SCHEMBL30542276 0.78 DGAT1 (0.40) DGAT1NPC1MAPTDUT
SCHEMBL30799248 0.78 DGAT1 (0.37) DGAT1NPC1KLKB1PDE10ADUT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220372042-A1 CONDENSED HETEROCYCLES AS BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. 2022-11-24 US disclosed
US-20210315904-A1 BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. 2021-10-14 US disclosed
US-20210171523-A1 BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC (US) 2021-06-10 US disclosed
US-20200071329-A1 BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. 2020-03-05 US disclosed
US-10377755-B2 BCL-2 inhibitors NEWAVE PHARMACEUTICAL INC. (US) 2019-08-13 US disclosed
US-20190040062-A1 BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. 2019-02-07 US disclosed
WO-2017132474-A1 BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. (US) 2017-08-03 WO 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 (6 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-10377755-B2 BCL-2 inhibitors BCL2L1, BCL2, BCL2A1 DGAT1 2751/4885NPC1 2259/4885KLKB1 4534/4885
US-20200071329-A1 BCL-2 INHIBITORS BCL2L1, BCL2, BCL2A1 DGAT1 2751/4885NPC1 2259/4885KLKB1 4534/4885
US-20210315904-A1 BCL-2 INHIBITORS BCL2L10, BCL2, BCL2L11 DGAT1 4227/4885NPC1 3788/4885KLKB1 3570/4885
US-20210171523-A1 BCL-2 INHIBITORS BCL2L1, BCL2, BCL2A1 DGAT1 2751/4885NPC1 2259/4885KLKB1 4534/4885
US-20220372042-A1 CONDENSED HETEROCYCLES AS BCL-2 INHIBITORS BCL2L11, BCL2L10, BCL2 DGAT1 4510/4885NPC1 3924/4885KLKB1 2992/4885
US-20190040062-A1 BCL-2 INHIBITORS BCL2L1, BCL2, BCL2A1 DGAT1 2751/4885NPC1 2259/4885KLKB1 4534/4885

“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.