SCHEMBL25129348

SCHEMBL25129348

C=C/C=C\c1cc(C)cnc1N

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.47
NOS2 P35228 2/20 0.47
NOS1 P29475 1/20 0.47
CYP2A6 P11509 2/20 0.35
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31
CCR8 P51685 1/20 0.31

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
SCHEMBL19904154 0.81 CCR1 (0.32) NOS3NOS2NOS1CCR1CCR5
SCHEMBL20125043 0.81 NOS3 (0.54) NOS3NOS2NOS1CYP2A6CCR1
SCHEMBL8296665 0.73 NOS3 (0.54) NOS3NOS2NOS1CYP2A6CCR1
SCHEMBL20124974 0.73 NOS3 (0.54) NOS3NOS2NOS1CYP2A6CCR1
SCHEMBL20746021 0.72 PLAU (0.44) NOS3NOS2NOS1
SCHEMBL20721716 0.72 PLAU (0.44) NOS3NOS2NOS1
SCHEMBL24217880 0.71 NOS3 (0.48) NOS3NOS2NOS1
SCHEMBL24466707 0.70 NOS3 (0.41) NOS3NOS2NOS1CCR1CCR5
SCHEMBL8341853 0.70 NOS3 (0.50) NOS3NOS2NOS1CYP2A6CCR1
SCHEMBL16130316 0.70 TDP1 (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192709-A1 FGFR INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2023-06-22 US disclosed
US-20230104574-A1 FGFR INHIBITORS AND METHODS OF USE THEREOF D.E. SHAW RESEARCH, LLC 2023-04-06 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 (2 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-20230192709-A1 FGFR INHIBITORS AND METHODS OF USE THEREOF FGFR3, FGFR2, FGFR1 NOS3 4329/4885NOS2 4664/4885NOS1 4605/4885
US-20230104574-A1 FGFR INHIBITORS AND METHODS OF USE THEREOF FGFR3, FGFR2, FGFR1 NOS3 4329/4885NOS2 4664/4885NOS1 4605/4885

“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.