SCHEMBL21980960

SCHEMBL21980960

O=CC=CN1CCC(Nc2nccc(Nc3nc4ccc(Oc5ccccc5)nc4s3)n2)C1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BTK Q06187 13/20 0.72
HCK P08631 10/20 0.72
LCK P06239 4/20 0.39
ITK Q08881 4/20 0.39
AURKB Q96GD4 3/20 0.39
CCNK O75909 1/20 0.34
CDK12 Q9NYV4 1/20 0.34
PDGFRB P09619 1/20 0.34
KIT P10721 1/20 0.34
FLT1 P17948 1/20 0.34
KDR P35968 1/20 0.34
ACHE P22303 1/20 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
SCHEMBL19205442 0.84 BTK (1.00) BTKHCKITK
SCHEMBL19205329 0.84 BTK (1.00) BTKHCKITK
SCHEMBL19205330 0.84 BTK (1.00) BTKHCKITK
SCHEMBL19205449 0.81 BTK (1.00) BTKHCK
SCHEMBL19205363 0.81 BTK (1.00) BTKHCK
SCHEMBL19205357 0.81 BTK (1.00) BTKHCK
SCHEMBL19205412 0.81 BTK (1.00) BTKHCK
SCHEMBL19229776 0.80 BTK (0.75) BTKHCKLCKITKAURKB
SCHEMBL22474765 0.75 HCK (0.61) BTKHCKLCKITKAURKB
SCHEMBL22474750 0.71 HCK (0.60) BTKHCKKDR

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-20200165267-A1 THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-05-28 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-20200165267-A1 THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES BTK, BCL9L, MCL1 BTK 1/4885HCK 6/4885LCK 11/4885

“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.