SCHEMBL16676631

SCHEMBL16676631

N#Cc1cnc(Cl)nc1Nc1ccc(C(=O)N2CCOCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 5/20 0.56
▸ JAK2 O60674 1/20 0.56
▸ HPGD P15428 1/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.48
▸ PTK2 Q05397 1/20 0.47
▸ PHGDH O43175 1/20 0.47
▸ NTRK1 P04629 1/20 0.47
▸ TYK2 P29597 1/20 0.46
▸ BTK Q06187 1/20 0.46
▸ PLK4 O00444 1/20 0.46
▸ TNKS O95271 1/20 0.46
▸ SYK P43405 2/20 0.45
▸ BRD4 O60885 1/20 0.44
▸ CREBBP Q92793 1/20 0.44
▸ CDK1 P06493 1/20 0.44
▸ KDR P35968 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ AKR1C3 P42330 1/20 0.44

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
SCHEMBL18068376 0.80 BTK (0.55) LRRK2BTK
SCHEMBL30379929 0.80 AURKA (0.51) LRRK2HPGDSYKSMN1; SMN2
SCHEMBL21596396 0.80 AURKA (0.51) LRRK2HPGDSYKSMN1; SMN2
SCHEMBL21596356 0.80 AURKA (0.51) JAK2SYKKDR
SCHEMBL21596371 0.79 AURKA (0.50) JAK2NTRK1SYKKDR
SCHEMBL30379219 0.79 AURKA (0.50) JAK2NTRK1SYKKDR
SCHEMBL13834916 0.75 SYK (0.48) LRRK2JAK2HPGDRXFP1PHGDH
SCHEMBL27997814 0.75 MKNK1 (0.55) HPGDRXFP1PHGDHBTKCDK1
SCHEMBL27833935 0.74 TYK2 (0.55) HPGDRXFP1PHGDHTYK2TNKS
SCHEMBL21596343 0.74 AURKA (0.72) SYKKDR

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
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
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 LRRK2 306/4885JAK2 10/4885HPGD 2987/4885
US-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof BTK, SYK, LCK LRRK2 306/4885JAK2 10/4885HPGD 2987/4885

“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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