SCHEMBL17645934

SCHEMBL17645934

Cn1cc(-c2nc3c(-c4ccc(C5CCCN5)cc4)ccnc3[nH]2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 3/20 0.41
▸ PARP1 P09874 5/20 0.41
▸ PARP2 Q9UGN5 2/20 0.41
▸ BTK Q06187 3/20 0.40
▸ AURKB Q96GD4 2/20 0.39
▸ INCENP Q9NQS7 2/20 0.39
▸ TPX2 Q9ULW0 2/20 0.39
▸ WNT1 P04628 2/20 0.38
▸ GSK3B P49841 2/20 0.38
▸ DYRK1A Q13627 2/20 0.38
▸ CHEK1 O14757 1/20 0.37
▸ CCNA2 P20248 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ CCNA1 P78396 1/20 0.37
▸ CHRNB2 P17787 1/20 0.37
▸ CHRNA7 P36544 1/20 0.37
▸ CHRNA4 P43681 1/20 0.37
▸ MKNK1 Q9BUB5 1/20 0.36
▸ MAP4K1 Q92918 1/20 0.36
▸ TBK1 Q9UHD2 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
SCHEMBL17670774 0.78 CCNK (0.41) AURKAPARP1PARP2BTKAURKB
SCHEMBL17646049 0.77 AURKA (0.46) AURKABTKAURKBINCENPTPX2
SCHEMBL17645858 0.76 BTK (0.43) AURKABTKAURKBINCENPTPX2
SCHEMBL21791346 0.75 BTK (0.43) AURKABTKAURKBINCENPTPX2
SCHEMBL17645797 0.75 USP30 (0.41) BTKWNT1GSK3BDYRK1A
SCHEMBL30104509 0.74 IKBKE (0.51) AURKABTKAURKBINCENPTPX2
SCHEMBL17645931 0.74 IKBKE (0.51) AURKABTKAURKBINCENPTPX2
SCHEMBL27457324 0.73 BTK (0.53) AURKABTKAURKBINCENPTPX2
SCHEMBL24061699 0.73 BTK (0.47) AURKABTKAURKBINCENPTPX2
Hydrochloric Acid SCHEMBL30104456 0.73 BTK (0.48) AURKABTKAURKBINCENPTPX2

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 AURKA 394/4885PARP1 1379/4885PARP2 1366/4885
US-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN AURKA 403/4885PARP1 1768/4885PARP2 1774/4885
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN AURKA 394/4885PARP1 1379/4885PARP2 1366/4885

“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.

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