SCHEMBL24828447

SCHEMBL24828447

Brc1ncnn1Cc1cc(C2CCC2)no1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 4/20 0.41
IGF1R P08069 3/20 0.34
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
KCNH2 Q12809 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
SCHEMBL24828685 0.77 PDE2A (0.33) PDE2A
SCHEMBL24828663 0.75 TDP1 (0.39) PDE2AKCNH2
SCHEMBL24828465 0.71 GRIN2B (0.34) PDE2A
SCHEMBL31010253 0.69 KMT2A (0.52) PDE2AIGF1RDRD2DRD4DRD3
SCHEMBL3931966 0.69 NOTUM (0.43) IGF1RDRD2DRD4DRD3CHRNB2
SCHEMBL24007232 0.69 MAPK14 (0.36) IGF1RDRD2DRD4DRD3CHRNB2
SCHEMBL9629513 0.69 NOTUM (0.43) IGF1RDRD2DRD4DRD3CHRNB2
SCHEMBL11613001 0.67 IGF1R (0.40) IGF1RCHRNB2CHRNA4
SCHEMBL9629655 0.66 NOTUM (0.43) IGF1RCHRNB2CHRNA4
SCHEMBL20305411 0.65 IGF1R (0.36) IGF1RDRD2DRD4DRD3KCNH2

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-11542278-B1 Heteroaromatic macrocyclic ether chemotherapeutic agents NUVALENT, INC. (US) 2023-01-03 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-11542278-B1 Heteroaromatic macrocyclic ether chemotherapeutic agents CYP2C8, ABCB1, CYP3A43 PDE2A 4184/4885IGF1R 3318/4885DRD2 3143/4885

“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.