SCHEMBL17645709

SCHEMBL17645709

C[C](C(N)=O)c1ccc(Br)cc1F

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.68
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAP2K1 Q02750 3/20 0.42
FLT1 P17948 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
MAP2K2 P36507 1/20 0.41
PARP15 Q460N3 1/20 0.40
PARP10 Q53GL7 1/20 0.40
SLC6A4 P31645 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38

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
SCHEMBL150293 0.81 DGAT1 (1.00) DGAT1NPC1RAB9AALDH1A1LMNA
SCHEMBL8204 0.81 DGAT1 (0.66) DGAT1NPC1RAB9AALDH1A1LMNA
SCHEMBL29820628 0.81 DGAT1 (0.66) DGAT1NPC1RAB9AALDH1A1LMNA
Hydrochloric Acid SCHEMBL26618126 0.79 DGAT1 (0.96) DGAT1NPC1RAB9AALDH1A1LMNA
SCHEMBL18839711 0.79 CYP11B2 (0.46) DGAT1RAB9AALDH1A1GAASMN1; SMN2
SCHEMBL4464312 0.77 DGAT1 (0.70) DGAT1NPC1RAB9AALDH1A1LMNA
SCHEMBL27889504 0.77 DGAT1 (0.59) DGAT1NPC1RAB9AALDH1A1LMNA
SCHEMBL6818016 0.76 DGAT1 (0.63) DGAT1NPC1RAB9AALDH1A1LMNA
SCHEMBL156346 0.75 DGAT1 (0.68) DGAT1NPC1RAB9AALDH1A1LMNA
SCHEMBL6818428 0.75 DGAT1 (0.53) DGAT1NPC1RAB9AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3204382-B1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-12-01 EP disclosed
US-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-08-01 US disclosed
US-10253023-B2 Heteroaryl compounds as BTK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-04-09 US disclosed
EP-3204382-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF Merck Patent GmbH (DE) 2017-08-16 EP disclosed
WO-2016057500-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-04-14 WO disclosed
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-04-07 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 (3 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-10253023-B2 Heteroaryl compounds as BTK inhibitors and uses thereof BTK, SYK, LYN DGAT1 2523/4885NPC1 3990/4885RAB9A 1796/4885
US-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN DGAT1 2622/4885NPC1 4113/4885RAB9A 1888/4885
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN DGAT1 2523/4885NPC1 3990/4885RAB9A 1796/4885

“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.