SCHEMBL16670226

SCHEMBL16670226

COC(=O)c1cc(N2C=C3CN(C(=O)OC(C)(C)C)CC3C2)cnc1Oc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
POLB P06746 1/20 0.38
TP53 P04637 6/20 0.37
BTK Q06187 5/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 4/20 0.35
THRB P10828 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 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
SCHEMBL16670703 0.92 TP53 (0.37) TP53MAPTLMNAMEN1KMT2A
SCHEMBL16670760 0.91 BTK (0.41) POLBTP53BTKMAPTLMNA
SCHEMBL16670238 0.84 TP53 (0.37) TP53BTKMEN1KMT2A
SCHEMBL16670224 0.81 BTK (0.43) TDP1BTK
SCHEMBL6324664 0.76 HPGDS (0.53) POLBTP53LMNA
SCHEMBL928383 0.75 MEN1 (0.42) TP53MAPTMEN1KMT2A
SCHEMBL16676644 0.75 USP30 (0.47) BTK
SCHEMBL16670027 0.75 CYP11B2 (0.46)
SCHEMBL16670361 0.74 USP30 (0.49) TDP1BTKMAPT
SCHEMBL16670702 0.74 ABL1 (0.38) TP53BTK

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-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-06-25 US disclosed
EP-3060550-B1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-05-15 EP disclosed
US-20160264548-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-09-15 US disclosed
EP-3060550-A2 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF Merck Patent GmbH (DE) 2016-08-31 EP disclosed
WO-2015061247-A2 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2015-04-30 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 (2 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-20160264548-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LCK TDP1 1162/4885POLB 3356/4885TP53 1292/4885
US-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof BTK, SYK, LCK TDP1 1162/4885POLB 3356/4885TP53 1292/4885

“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.