SCHEMBL17664684

SCHEMBL17664684

Cc1c(NC(=O)c2ccc3c(c2)OCC3(C)C)cc(F)cc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.46
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 7/20 0.38
NPC1 O15118 6/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LIPE Q05469 4/20 0.36
CXCR2 P25025 2/20 0.36
PKM P14618 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CASP3 P42574 2/20 0.35
SENP7 Q9BQF6 2/20 0.35
MAOB P27338 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
PTGS2 P35354 1/20 0.34
RARA P10276 1/20 0.34
RARB P10826 1/20 0.34

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
SCHEMBL31474190 0.84 BTK (0.34) BTKALDH1A1HPGDNPC1LIPE
SCHEMBL17645873 0.83 BTK (0.47) BTKALDH1A1HPGDRAB9ANPC1
SCHEMBL31474075 0.82 LIPE (0.35) BTKALDH1A1HPGDLIPECXCR2
SCHEMBL14646759 0.79 LIPE (0.43) BTKALDH1A1HPGDRAB9ANPC1
SCHEMBL14646831 0.79 NTRK1 (0.44) BTKALDH1A1HPGDRAB9ANPC1
SCHEMBL31474008 0.78 NPC1 (0.33) ALDH1A1HPGDNPC1LIPE
SCHEMBL17770661 0.76 CXCR2 (0.34) BTKLIPECXCR2
SCHEMBL31474067 0.75 LIPE (0.34) ALDH1A1LIPECXCR2
SCHEMBL27003891 0.75 LIPE (0.39) NPC1LIPECXCR2
SCHEMBL17664680 0.74 BTK (0.51) BTKALDH1A1HPGDRAB9ANPC1

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 4 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
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 1/4885ALDH1A1 4687/4885HPGD 3809/4885
US-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN BTK 1/4885ALDH1A1 4730/4885HPGD 3953/4885
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN BTK 1/4885ALDH1A1 4687/4885HPGD 3809/4885

“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.