SCHEMBL17645808

SCHEMBL17645808

Cn1cc(-c2nc3c(-c4ccc5c(c4)CCN(C(=O)OC(C)(C)C)C5)ccnc3[nH]2)cn1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 6/20 0.48
▸ ESR2 Q92731 1/20 0.46
▸ RET P07949 4/20 0.43
▸ ROCK2 O75116 1/20 0.42
▸ LRRK2 Q5S007 1/20 0.42
▸ MERTK Q12866 4/20 0.41
▸ TYRO3 Q06418 3/20 0.41
▸ NR1H2 P55055 1/20 0.41
▸ AXL P30530 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ GPR119 Q8TDV5 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40

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
SCHEMBL17645690 0.83 BTK (0.70) BTKKCNH2
SCHEMBL17645801 0.80 BTK (0.70) BTKMERTKTYRO3AXLKCNH2
SCHEMBL21791346 0.78 BTK (0.43) BTKROCK2MERTKTYRO3AXL
SCHEMBL17645727 0.78 BTK (0.78) BTKKCNH2
SCHEMBL17645797 0.77 USP30 (0.41) BTKRETLRRK2GPR119KCNH2
SCHEMBL17664642 0.76 TYRO3 (0.47) BTKMERTKTYRO3AXL
Hydrochloric Acid SCHEMBL17646063 0.75 TYRO3 (0.47) BTKMERTKTYRO3AXL
SCHEMBL30950542 0.75 BTK (0.62) BTK
SCHEMBL17660344 0.75 BTK (0.62) BTK
SCHEMBL17660341 0.74 BTK (0.54) BTKRET

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 8 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-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
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
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-04-07 — — US 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 1/4885ESR2 4043/4885RET 712/4885
US-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN BTK 1/4885ESR2 3876/4885RET 690/4885
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN BTK 1/4885ESR2 4043/4885RET 712/4885

“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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