SCHEMBL21207810

SCHEMBL21207810

Cc1ccc(-n2ccn(-c3cccc(-c4ccnc5c4NC(c4ccc(C(=O)N6CCOCC6)cc4)N5)c3CO)c2=O)cc1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BTK Q06187 11/20 0.66
APC P25054 3/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
PDE5A O76074 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
HPGD P15428 2/20 0.33

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
SCHEMBL17645653 0.80 BTK (0.80) BTKAPCPDCD1CD274
SCHEMBL17660385 0.74 BTK (0.72) BTKAPCPDCD1CD274
SCHEMBL17645756 0.70 BTK (0.79) BTKAPCPDCD1CD274
SCHEMBL20878561 0.68 BTK (0.63) BTK
SCHEMBL15875348 0.64 BTK (0.70) BTK
SCHEMBL12871 0.61 PHGDH (0.69) HPGD
SCHEMBL17660381 0.61 BTK (0.42) BTK
SCHEMBL17645861 0.61 BTK (0.41) BTK
SCHEMBL17645832 0.58 BTK (0.55) BTK
SCHEMBL22333676 0.58 CREBBP (0.42) BTKPDCD1CD274HPGD

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN BTK 1/4885APC 3216/4885PDCD1 1757/4885

“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.