SCHEMBL21856986

SCHEMBL21856986

Cc1cnc(N)cc1-c1ccc(F)cc1F

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.48
NOS3 P29474 1/20 0.46
NOS1 P29475 1/20 0.46
NOS2 P35228 1/20 0.46
FEN1 P39748 10/20 0.43
ALOX5AP P20292 9/20 0.43
MAPK14 Q16539 2/20 0.39
DPP4 P27487 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CLK1 P49759 1/20 0.36
KLKB1 P03952 1/20 0.36
ADORA2A P29274 1/20 0.36

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
SCHEMBL4497183 0.76 ABL1 (0.50) ABL1NOS3NOS1NOS2FEN1
SCHEMBL4513696 0.74 FEN1 (0.65) FEN1ALOX5APKLKB1
SCHEMBL21020907 0.74 PLA2G7 (0.47) ABL1MAPK14DPP4ALDH1A1
SCHEMBL31512014 0.74 NOS3 (0.50) ABL1NOS3NOS1NOS2FEN1
SCHEMBL25294409 0.73 UHRF1 (0.40) NOS3NOS1NOS2FEN1ALOX5AP
SCHEMBL21857575 0.72 PDE3B (0.49) MAPK14
Hydrochloric Acid SCHEMBL31512080 0.72 NOS3 (0.48) ABL1NOS3NOS1NOS2FEN1
SCHEMBL17813814 0.72 POLQ (0.40) ABL1MAPK14DPP4
SCHEMBL6642787 0.72 KIT (0.43) ABL1FEN1ALOX5APMAPK14DPP4
SCHEMBL11711471 0.72

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES GERO PTE. LTD. (SG) 2023-02-16 US disclosed
US-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES GERO PTE. LTD. (SG) 2023-02-16 US disclosed
CN-113396145-A PFKFB3 inhibitors and uses thereof 盖罗发现有限责任公司 2021-09-14 CN disclosed
WO-2020080979-A1 PFKFB3 INHIBITORS AND THEIR USES GERO DISCOVERY LIMITED LIABILITY COMPANY (RU) 2020-04-23 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 (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-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES PFKFB3, PFKFB4, PFKFB1 ABL1 3675/4885NOS3 486/4885NOS1 2411/4885

“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.