SCHEMBL17645685

SCHEMBL17645685

O=C(O)NCc1ccc(-c2ccnc3[nH]c(-c4ccccc4[N+](=O)[O-])nc23)cc1F

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 12/20 0.42
▸ MGAM O43451 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ SI P14410 1/20 0.40
▸ MGAM2 Q2M2H8 1/20 0.40
▸ CNR2 P34972 1/20 0.37
▸ PTGES O14684 1/20 0.37
▸ GUSB P08236 1/20 0.37
▸ DHODH Q02127 2/20 0.36
▸ EIF4E P06730 1/20 0.36

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
SCHEMBL17645686 1.00 BTK (0.42) BTKMGAMGAASIMGAM2
SCHEMBL17645865 0.88 BTK (0.46) BTK
SCHEMBL17646051 0.86 BTK (0.45) BTKCNR2DHODH
SCHEMBL17645980 0.83 BTK (0.60) BTKDHODH
SCHEMBL17645988 0.77 BTK (0.56) BTKDHODH
SCHEMBL30950523 0.76 BTK (0.57) BTK
SCHEMBL27457084 0.76 BTK (0.57) BTK
SCHEMBL30950446 0.76 BTK (0.57) BTK
SCHEMBL30950571 0.76 BTK (0.59) BTK
SCHEMBL17664658 0.76 BTK (0.59) BTK

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
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 BTK 1/4885MGAM 2434/4885GAA 2202/4885
US-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN BTK 1/4885MGAM 2226/4885GAA 2398/4885
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN BTK 1/4885MGAM 2434/4885GAA 2202/4885

“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.

Send feedback