SCHEMBL14745402

SCHEMBL14745402

CC(C)(C)[Si](C)(C)OCc1cn2cc(Br)ccc2n1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.44
NPC1 O15118 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
TP53 P04637 2/20 0.44
TSHR P16473 1/20 0.44
PIK3CG P48736 1/20 0.44
KDM4E B2RXH2 2/20 0.43
PKM P14618 1/20 0.42
DRD2 P14416 2/20 0.42
DRD4 P21917 2/20 0.42
DRD3 P35462 2/20 0.42
RXFP1 Q9HBX9 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAP3K5 Q99683 1/20 0.39
APP P05067 4/20 0.39
GAA P10253 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
PAX8 Q06710 1/20 0.36
METTL3 Q86U44 2/20 0.35

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
SCHEMBL10513008 0.80 PIK3CG (0.50) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL16747861 0.78 SMN1; SMN2 (0.53) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL30950960 0.77 KDM4E (0.36) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL31652399 0.77 METTL3 (0.34) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL31132472 0.76 MET (0.39) RAB9ANPC1TSHRPIK3CGKDM4E
SCHEMBL19736954 0.76 MAPT (0.36) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL1500151 0.75 PIK3CG (0.55) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL1500443 0.75 PIK3CG (0.47) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL1500308 0.75 PIK3CG (0.47) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL19736713 0.74 NPC1 (0.48) RAB9ANPC1SMN1; SMN2TP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017216292-A1 BICYCLIC PYRIDINE, PYRAZINE, AND PYRIMIDINE DERIVATIVES AS PI3K BETA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2017-12-21 WO disclosed
US-9409905-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2016-08-09 US disclosed
US-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-02-05 US disclosed
EP-2750504-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC Therapeutics, Inc. (US) 2014-07-09 EP disclosed
WO-2013033258-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2013-03-07 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 (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-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE MRPL21, SLC11A2, CLPP RAB9A 1346/4885NPC1 1233/4885SMN1; SMN2 4224/4885

“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.