Sugi Predict

Sugi Predict / Compounds / SCHEMBL22553902

SCHEMBL22553902

SCHEMBL22553902

C[C@@H]1CC(=O)N(c2ccc(-c3cncc(Br)c3)cc2)C1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.39
▸ PTGS2 P35354 2/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ POLB P06746 2/20 0.36
▸ CYP2A6 P11509 2/20 0.35
▸ CYP11B1 P15538 2/20 0.35
▸ CYP11B2 P19099 2/20 0.35
▸ PGR P06401 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CYP1A1 P04798 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP1B1 Q16678 1/20 0.34

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
SCHEMBL22553998 1.00 RXFP1 (0.39) RXFP1PTGS2NPC1POLBCYP2A6
SCHEMBL22553903 1.00 RXFP1 (0.39) RXFP1PTGS2NPC1POLBCYP2A6
SCHEMBL12235705 0.79 RXFP1 (0.52) RXFP1POLBALDH1A1RECQLMAPT
SCHEMBL22554286 0.79 RXFP1 (0.52) RXFP1POLBALDH1A1RECQLMAPT
SCHEMBL22554265 0.79 RXFP1 (0.52) RXFP1POLBALDH1A1RECQLMAPT
SCHEMBL22554180 0.77 LPL (0.34) MEN1KMT2ASMN1; SMN2
SCHEMBL22554010 0.77 LPL (0.34) MEN1KMT2ASMN1; SMN2
SCHEMBL22554011 0.77 LPL (0.34) MEN1KMT2ASMN1; SMN2
SCHEMBL14908919 0.75 NPC1 (0.60) NPC1POLBCYP11B1CYP11B2ALDH1A1
SCHEMBL22554331 0.74 GRM5 (0.40) PTGS2NPC1CYP2A6CYP11B1CYP11B2

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-11919902-B2 Aryl-bipyridine amine derivatives as phosphatidylinositol phosphate kinase inhibitors HIBERCELL, INC. (US) 2024-03-05 — — US disclosed
CN-112088157-B Aryl-bipyridylamine derivatives as phosphatidylinositol phosphokinase inhibitors 拉文纳制药公司 2023-12-26 — — CN disclosed
CN-112088157-A Aryl-bipyridine amine derivatives as phosphoinositide kinase inhibitors 拉文纳制药公司 2020-12-15 — — CN disclosed
EP-3728230-A1 ARYL-BIPYRIDINE AMINE DERIVATIVES AS PHOSPHATIDYLINOSITOL PHOSPHATE KINASE INHIBITORS Ravenna Pharmaceuticals, Inc. (US) 2020-10-28 — — EP disclosed
US-20200331913-A1 ARYL-BIPYRIDINE AMINE DERIVATIVES AS PHOSPHATIDYLINOSITOL PHOSPHATE KINASE INHIBITORS HIBERCELL, INC. 2020-10-22 — — US disclosed
US-20200331913-A1 ARYL-BIPYRIDINE AMINE DERIVATIVES AS PHOSPHATIDYLINOSITOL PHOSPHATE KINASE INHIBITORS HIBERCELL, INC. 2020-10-22 — — 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 (2 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-20200331913-A1 ARYL-BIPYRIDINE AMINE DERIVATIVES AS PHOSPHATIDYLINOSITOL PHOSPHATE KINASE INHIBITORS PIP5K1A, PIP5K1B, PIP5K1C RXFP1 3754/4885PTGS2 3977/4885NPC1 1648/4885
US-11919902-B2 Aryl-bipyridine amine derivatives as phosphatidylinositol phosphate kinase inhibitors PIP5K1A, PIP5K1B, PIP5K1C RXFP1 3754/4885PTGS2 3977/4885NPC1 1648/4885

“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.