Sugi Predict

Sugi Predict / Compounds / SCHEMBL22553785

SCHEMBL22553785

SCHEMBL22553785

CN(C)C(=O)c1cnc2c(c1)c(-c1cncc(-c3ccc(N4CCCC4=O)cc3)c1)cn2C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 2/20 0.45
▸ NPC1 O15118 1/20 0.40
▸ BRD4 O60885 1/20 0.39
▸ BRDT Q58F21 1/20 0.39
▸ IP6K1 Q92551 1/20 0.39
▸ IP6K3 Q96PC2 1/20 0.39
▸ IP6K2 Q9UHH9 1/20 0.39
▸ CHEK1 O14757 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 2/20 0.37
▸ PIP4K2A P48426 1/20 0.37
▸ HPGDS O60760 1/20 0.36
▸ CCNC P24863 2/20 0.36
▸ CDK8 P49336 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.35
▸ GPBAR1 Q8TDU6 1/20 0.35
▸ RAD52 P43351 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CD38 P28907 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
SCHEMBL22553934 0.88 NPC1 (0.46) CYP11B2NPC1BRD4BRDTIP6K1
SCHEMBL22554063 0.86 BRD4 (0.45) CYP11B2NPC1BRD4BRDTIP6K1
SCHEMBL22554169 0.84 CYP11B2 (0.45) CYP11B2NPC1IP6K1IP6K3IP6K2
SCHEMBL22554055 0.84 CYP11B2 (0.46) CYP11B2NPC1IP6K1IP6K3IP6K2
SCHEMBL22554136 0.83 BRD4 (0.41) CYP11B2NPC1BRD4BRDTIP6K1
SCHEMBL30730796 0.83 BRD4 (0.42) CYP11B2NPC1BRD4BRDTIP6K1
SCHEMBL22554069 0.83 BRD4 (0.42) CYP11B2NPC1BRD4BRDTIP6K1
SCHEMBL22553835 0.83 HTT (0.39) NPC1BRD4BRDTHPGDPIP4K2A
SCHEMBL22553891 0.83 BRD4 (0.44) CYP11B2NPC1BRD4BRDTIP6K1
SCHEMBL22553804 0.82 BRD4 (0.41) CYP11B2NPC1BRD4BRDTIP6K1

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 5 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 claimed
US-20200331913-A1 ARYL-BIPYRIDINE AMINE DERIVATIVES AS PHOSPHATIDYLINOSITOL PHOSPHATE KINASE INHIBITORS HIBERCELL, INC. 2020-10-22 — — US claimed
US-11919902-B2 Aryl-bipyridine amine derivatives as phosphatidylinositol phosphate kinase inhibitors HIBERCELL, INC. (US) 2024-03-05 — — US 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 CYP11B2 3643/4885NPC1 1648/4885BRD4 309/4885
US-11919902-B2 Aryl-bipyridine amine derivatives as phosphatidylinositol phosphate kinase inhibitors PIP5K1A, PIP5K1B, PIP5K1C CYP11B2 3643/4885NPC1 1648/4885BRD4 309/4885

“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.