SCHEMBL21629952

SCHEMBL21629952

NC(=O)c1cccc(-c2ccncn2)c1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
JAK2 O60674 1/20 0.38
CYP46A1 Q9Y6A2 2/20 0.38
PARP1 P09874 4/20 0.38
PDK2 Q15119 2/20 0.37
P2RX7 Q99572 1/20 0.37
BCAT2 O15382 1/20 0.37
KDR P35968 5/20 0.37
TEK Q02763 5/20 0.37
LCK P06239 1/20 0.37
BRAF P15056 1/20 0.37
MAPK14 Q16539 1/20 0.37
CSNK1A1 P48729 1/20 0.37
TYRO3 Q06418 1/20 0.37

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
SCHEMBL16835258 0.83 GRM5 (0.50) PARP1PDK2BCAT2CSNK1A1TYRO3
SCHEMBL31329756 0.82 CHRNB2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA4JAK2
SCHEMBL29134476 0.81 KEAP1 (0.45) CHRNB2CHRNB4CHRNA3CHRNA4JAK2
SCHEMBL16654579 0.81 BCAT2 (0.53) CHRNB2CHRNB4CHRNA3CHRNA4JAK2
SCHEMBL25420785 0.80 BTK (0.39) SYKCCNCCDK8JAK2CYP46A1
SCHEMBL23648683 0.80 IKBKB (0.40) CCNCCDK8CHRNB2CHRNB4CHRNA3
SCHEMBL7098623 0.80 IKBKB (0.43) CHRNB2CHRNB4CHRNA3CHRNA4JAK2
SCHEMBL21629920 0.80 CCNC (0.56) CCNCCDK8PARP1PDK2BCAT2
Hydrochloric Acid SCHEMBL30692651 0.79 BCAT2 (0.50) CHRNB2CHRNB4CHRNA3CHRNA4JAK2
SCHEMBL21629999 0.76 PDK2 (0.50) SYKCCNCCDK8PARP1PDK2

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-20200031801-A1 THERAPEUTIC HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. 2020-01-30 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-20200031801-A1 THERAPEUTIC HETEROCYCLIC COMPOUNDS SDHA, SLC10A1, CYP11B2 SYK 3741/4885CCNC 669/4885CDK8 1455/4885

“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.