SCHEMBL19473337

SCHEMBL19473337

CC(C)c1ccc(C(=O)N2CCOCC2)nc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.65
▸ FKBP1A P62942 3/20 0.51
▸ NPC1 O15118 3/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ GRM5 P41594 1/20 0.49
▸ HRH3 Q9Y5N1 1/20 0.47
▸ HSP90AA1 P07900 2/20 0.46
▸ HSP90AB1 P08238 2/20 0.46
▸ HPGD P15428 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ ESR2 Q92731 1/20 0.45
▸ ATM Q13315 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ LMNA P02545 1/20 0.43

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
SCHEMBL10329767 0.87 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AALDH1A1KMT2A
SCHEMBL12186155 0.87 KMT2A (0.54) SMN1; SMN2NPC1RAB9AALDH1A1KMT2A
SCHEMBL26772953 0.85 HRH3 (0.53) SMN1; SMN2NPC1RAB9AALDH1A1KMT2A
SCHEMBL24370438 0.84 TDP1 (0.48) SMN1; SMN2NPC1RAB9AALDH1A1KMT2A
SCHEMBL20803928 0.83 SCN9A (0.48) SMN1; SMN2ALDH1A1KMT2AL3MBTL1HRH3
SCHEMBL7877444 0.81 SMN1; SMN2 (0.70) SMN1; SMN2NPC1RAB9AALDH1A1KMT2A
SCHEMBL19105521 0.81 ALDH1A1 (0.48) SMN1; SMN2FKBP1ANPC1RAB9AALDH1A1
SCHEMBL13210615 0.79 SMN1; SMN2 (1.00) SMN1; SMN2RAB9AALDH1A1KMT2AL3MBTL1
SCHEMBL13466364 0.78 PLA2G1B (0.45) SMN1; SMN2NPC1RAB9AALDH1A1KMT2A
SCHEMBL2379474 0.78 SMN1; SMN2 (0.70) SMN1; SMN2NPC1RAB9AALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-11-28 — — US disclosed
US-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-11-28 — — US disclosed
US-20230373985-A1 KINASE MODULATORS AND METHODS OF USE THEREOF ORIGENIS GMBH (DE) 2023-11-23 — — US disclosed
WO-2022084741-A1 CFTR MODULATOR COMPOUNDS, COMPOSITIONS, AND USES THEREOF ILDONG PHARMACEUTICAL CO., LTD. (KR) 2022-04-28 — — WO disclosed
US-20170298075-A1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS CTXT PTY. LTD. (AU) 2017-10-19 — — US disclosed
US-20170298075-A1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS CTXT PTY. LTD. (AU) 2017-10-19 — — 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 (3 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-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators PDE4A, PDE4B, PDE5A SMN1; SMN2 3416/4885FKBP1A 2934/4885NPC1 1428/4885
US-20230373985-A1 KINASE MODULATORS AND METHODS OF USE THEREOF TYK2, MAPKAPK2, MAP3K20 SMN1; SMN2 3815/4885FKBP1A 1650/4885NPC1 4872/4885
US-20170298075-A1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS PRMT5, PRMT1, PRMT3 SMN1; SMN2 2876/4885FKBP1A 3788/4885NPC1 2922/4885

“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