SCHEMBL16670511

SCHEMBL16670511

N#Cc1cccc(Oc2ccc(Oc3nc(Cl)ccc3C(N)=O)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.48
RAB9A P51151 1/20 0.43
ROCK2 O75116 2/20 0.42
PARP15 Q460N3 2/20 0.42
PARP10 Q53GL7 2/20 0.42
PARP2 Q9UGN5 2/20 0.42
TNKS O95271 1/20 0.42
PARP14 Q460N5 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
BTK Q06187 5/20 0.41
SYK P43405 1/20 0.41
BACE1 P56817 1/20 0.41
PTGER4 P35408 1/20 0.40
PTGER2 P43116 1/20 0.40
IKBKB O14920 1/20 0.40
CHUK O15111 1/20 0.40
PRSS1 P07477 1/20 0.40
ACR P10323 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL16670718 0.83 BTK (0.53) F10RAB9APARP10BTK
SCHEMBL29193018 0.80 RAB9A (0.51) F10RAB9APARP10BTK
SCHEMBL16671082 0.78 PARP1 (0.42) F10ROCK2BTKSYK
SCHEMBL6631248 0.76 PARP10 (0.71) F10PARP15PARP10PARP2TNKS
SCHEMBL18044908 0.76 BTK (0.41) F10ROCK2BTKBACE1KDM4E
SCHEMBL16670932 0.75 PARP10 (0.48) PARP10PARP14BTK
SCHEMBL18068342 0.75 RAB9A (0.49) F10RAB9AROCK2BTKKDM4E
SCHEMBL6576129 0.72 F10 (0.65) F10SYKPTGER4PTGER2
SCHEMBL10923033 0.72 PDE4A (0.55) PARP15PARP10PARP2TNKSPARP14
SCHEMBL7695689 0.71 CTNNB1 (0.62) F10SYKIKBKBCHUKPRSS1

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 10 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
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
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
US-20160264548-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-09-15 US 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
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 F10 2863/4885RAB9A 2628/4885ROCK2 670/4885
US-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof BTK, SYK, LCK F10 2863/4885RAB9A 2628/4885ROCK2 670/4885

“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.