SCHEMBL17645988

SCHEMBL17645988

COc1ccnc(-c2nc3c(-c4ccc(CNC(=O)O)c(F)c4)ccnc3[nH]2)c1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 14/20 0.56
▸ DGAT2 Q96PD7 2/20 0.39
▸ ROCK2 O75116 1/20 0.38
▸ CBFB Q13951 1/20 0.38
▸ DHODH Q02127 1/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.38

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
SCHEMBL17645870 0.89 BTK (0.56) BTK
SCHEMBL17660360 0.85 BTK (0.47) BTKCBFBDHODH
SCHEMBL17645980 0.84 BTK (0.60) BTKDHODH
SCHEMBL17645827 0.84 BTK (0.65) BTKDGAT2
SCHEMBL17645823 0.84 BTK (0.81) BTK
SCHEMBL17664691 0.79 BTK (0.47) BTK
SCHEMBL17646051 0.79 BTK (0.45) BTKDHODH
SCHEMBL17664641 0.78 BTK (0.46) BTKDGAT2DHODH
SCHEMBL24061700 0.78 BTK (0.45) BTKCBFB
SCHEMBL17645914 0.77 BTK (0.62) BTK

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 4 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
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 1/4885DGAT2 2648/4885ROCK2 458/4885
US-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN BTK 1/4885DGAT2 2840/4885ROCK2 574/4885
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN BTK 1/4885DGAT2 2648/4885ROCK2 458/4885

“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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