SCHEMBL24310422

SCHEMBL24310422

Cc1ccccc1-c1nc(NS(=O)(=O)c2cnn(C)c2)nc(Oc2ccc(N3CCN(C)CC3)cc2)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 1/20 0.40
▸ PDE10A Q9Y233 1/20 0.40
▸ BRD4 O60885 3/20 0.39
▸ RAD52 P43351 1/20 0.39
▸ MAP4K1 Q92918 1/20 0.37
▸ EGFR P00533 7/20 0.36
▸ MAP3K7 O43318 1/20 0.36
▸ MAP2K1 Q02750 1/20 0.36
▸ JAK2 O60674 2/20 0.36
▸ BLK P51451 1/20 0.36
▸ BMX P51813 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ CCNK O75909 1/20 0.36
▸ CCNA2 P20248 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ CCND3 P30281 1/20 0.36
▸ CDK9 P50750 1/20 0.36
▸ CDK6 Q00534 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ TP53 P04637 1/20 0.35

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
SCHEMBL29567000 1.00 PDE2A (0.40) PDE2APDE10ABRD4RAD52MAP4K1
SCHEMBL29567464 0.92 HTR1A (0.41) BRD4RAD52EGFRJAK2BLK
SCHEMBL26808930 0.92 HTR1A (0.41) BRD4RAD52EGFRJAK2BLK
SCHEMBL29567356 0.91 RAD52 (0.39) PDE2APDE10ABRD4RAD52MAP4K1
SCHEMBL26808704 0.91 RAD52 (0.39) PDE2APDE10ABRD4RAD52MAP4K1
SCHEMBL26808918 0.91 RAD52 (0.39) PDE2APDE10ABRD4RAD52MAP4K1
SCHEMBL24309887 0.89 RAD52 (0.39) PDE2APDE10ABRD4RAD52MAP4K1
SCHEMBL24310157 0.89 RAD52 (0.38) PDE2APDE10ABRD4RAD52MAP4K1
SCHEMBL29567333 0.89 RAD52 (0.39) PDE2APDE10ABRD4RAD52MAP4K1
SCHEMBL24309717 0.89 RAD52 (0.39) PDE2APDE10ABRD4RAD52MAP4K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — US disclosed
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — US disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — 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-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B PDE2A 122/4885PDE10A 210/4885BRD4 1716/4885

“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.

Send feedback