SCHEMBL25848615

SCHEMBL25848615

CC(C)c1cc(C(C)C)n2cc(C(C)C)nc2n1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.38
KDM5B Q9UGL1 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
KDM4E B2RXH2 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
KDM1A O60341 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
TSHR P16473 1/20 0.30
CRHBP P24387 1/20 0.30
CYP2C19 P33261 1/20 0.30
CRHR2 Q13324 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
SCHEMBL22727827 0.87 PDE2A (0.38) ADORA3KDM5BMEN1ALDH1A1KMT2A
SCHEMBL25848618 0.72 NOS3 (0.32) NOS3NOS1NOS2
SCHEMBL798504 0.69 ADORA3 (0.32) ADORA3
SCHEMBL24470101 0.68 PDE2A (0.38) KDM5BMEN1ALDH1A1KMT2ANOS3
SCHEMBL19193475 0.66 ADORA3 (0.34) ADORA3
SCHEMBL798677 0.65
SCHEMBL25054992 0.65 ADORA3 (0.36) ADORA3ALDH1A1KMT2AKDM4E
SCHEMBL27112085 0.64
SCHEMBL23547304 0.63
SCHEMBL27112071 0.63

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-11708369-B2 Heteroaromatic compounds having activity against RSV Janssen Sciences Ireland Unlimited Company (IE) 2023-07-25 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-11708369-B2 Heteroaromatic compounds having activity against RSV MAVS, ZC3HAV1, SARS1 ADORA3 1565/4885KDM5B 3275/4885MEN1 4445/4885

“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.