SCHEMBL31378657

SCHEMBL31378657

Nc1cnc2c(c1)CC1(CCCC1)CC2

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30

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
SCHEMBL31378849 0.97 NOS3 (0.31) NOS3NOS1NOS2ADRA2AADRA2B
SCHEMBL31378666 0.87 NOS3 (0.31) NOS3NOS1NOS2ADRA2AADRA2B
SCHEMBL31378881 0.83 NOS3 (0.31) NOS3NOS1NOS2ADRA2AADRA2B
SCHEMBL6776899 0.78 MAPK1 (0.34) NOS3NOS1NOS2
SCHEMBL31378895 0.78
SCHEMBL31378798 0.78
SCHEMBL31378636 0.74 ALDH1A1 (0.37) ADRA2A
SCHEMBL29791251 0.72 ADRA2A (0.47) NOS3NOS1NOS2ADRA2AADRA2B
SCHEMBL31220065 0.72 ADRA2A (0.51) NOS3NOS1NOS2ADRA2AADRA2B
SCHEMBL5464319 0.72 ADRA2A (0.47) NOS3NOS1NOS2ADRA2AADRA2B

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-20250171431-A1 HETEROCYCLIC INHIBITORS OF IGF-1R FOR TREATMENT OF DISEASE HORIZON THERAPEUTICS IRELAND DAC (IE) 2025-05-29 US disclosed
WO-2025030163-A1 HETEROCYCLIC INHIBITORS OF IGF-1R FOR TREATMENT OF DISEASE HORIZON THERAPEUTICS IRELAND DAC (IE) 2025-02-06 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-20250171431-A1 HETEROCYCLIC INHIBITORS OF IGF-1R FOR TREATMENT OF DISEASE IGF1R, TRHR, TSHR NOS3 1687/4885NOS1 1416/4885NOS2 2369/4885

“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.