SCHEMBL409545

SCHEMBL409545

COc1ccc(-n2cc(C3CCCNC3)c3ncnc(N)c32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.43
IKBKB O14920 1/20 0.43
PI4KA P42356 1/20 0.42
PI4K2B Q8TCG2 1/20 0.42
PI4K2A Q9BTU6 1/20 0.42
PI4KB Q9UBF8 1/20 0.42
BTK Q06187 1/20 0.42
SRC P12931 5/20 0.42
HTR2A P28223 3/20 0.38
ACVRL1 P37023 1/20 0.38
PDPK1 O15530 1/20 0.37
RPS6KB1 P23443 1/20 0.37
XDH P47989 1/20 0.37
ABL1 P00519 3/20 0.37
EGFR P00533 3/20 0.37
ABL2 P42684 3/20 0.37
TNK2 Q07912 1/20 0.37
FFAR2 O15552 2/20 0.36
KDR P35968 1/20 0.36
HTR2C P28335 1/20 0.35

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
SCHEMBL19230428 0.88 BTK (0.56) BTKSRCTNK2
SCHEMBL8819946 0.86 BTK (0.43) HTR6IKBKBPI4KAPI4K2BPI4K2A
SCHEMBL8819702 0.80 EGFR (0.41) PI4KAPI4K2BPI4K2API4KBBTK
SCHEMBL5250649 0.76 TNK2 (0.47) BTKSRCEGFRTNK2KDR
SCHEMBL23847508 0.75 TNK2 (0.48) BTKSRCEGFRTNK2KDR
SCHEMBL28645873 0.74 SLC6A4 (0.40) BTKHTR2ARPS6KB1EGFRHTR2C
SCHEMBL29989219 0.74 SLC6A4 (0.40) BTKHTR2ARPS6KB1EGFRHTR2C
SCHEMBL21044835 0.69 BTK (0.73) BTKEGFRTNK2
SCHEMBL8819471 0.69 PI4KA (0.46) PI4KAPI4K2BPI4K2API4KBSRC
SCHEMBL23834462 0.69 BTK (0.45) BTKTNK2

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-20120065201-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2012-03-15 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-20120065201-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 HTR6 4681/4885IKBKB 349/4885PI4KA 678/4885

“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.