SCHEMBL17646049

SCHEMBL17646049

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

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 3/20 0.46
▸ AURKB Q96GD4 3/20 0.46
▸ INCENP Q9NQS7 3/20 0.46
▸ TPX2 Q9ULW0 3/20 0.46
▸ BTK Q06187 10/20 0.46
▸ LOXL2 Q9Y4K0 1/20 0.41
▸ MKNK1 Q9BUB5 2/20 0.41
▸ EPHX2 P34913 1/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ IKBKE Q14164 1/20 0.37
▸ TBK1 Q9UHD2 1/20 0.37
▸ MAPT P10636 1/20 0.37

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
SCHEMBL24061699 0.84 BTK (0.47) AURKAAURKBINCENPTPX2BTK
SCHEMBL30950575 0.83 BTK (0.59) BTK
SCHEMBL17646036 0.83 BTK (0.59) BTK
SCHEMBL17645701 0.83 BTK (0.59) BTK
Hydrochloric Acid SCHEMBL17645842 0.83 BTK (0.58) BTK
Hydrochloric Acid SCHEMBL30950588 0.83 BTK (0.58) BTK
SCHEMBL17645858 0.83 BTK (0.43) AURKAAURKBINCENPTPX2BTK
SCHEMBL17646019 0.82 BTK (0.48) AURKAAURKBINCENPTPX2BTK
SCHEMBL17660371 0.82 BTK (0.46) AURKAAURKBINCENPTPX2BTK
SCHEMBL21791346 0.80 BTK (0.43) AURKAAURKBINCENPTPX2BTK

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 394/4885AURKB 253/4885INCENP 1920/4885
US-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN AURKA 403/4885AURKB 237/4885INCENP 1959/4885
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN AURKA 394/4885AURKB 253/4885INCENP 1920/4885

“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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