Sugi Predict

Sugi Predict / Compounds / SCHEMBL22554090

SCHEMBL22554090

SCHEMBL22554090

O=C1CCCN1c1ccc(-c2cncc(-c3cn(CC4CCOCC4)c(=O)c4[nH]ncc34)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 4/20 0.37
▸ CCNC P24863 1/20 0.35
▸ CDK8 P49336 1/20 0.35
▸ ROCK2 O75116 3/20 0.34
▸ BRD4 O60885 2/20 0.34
▸ TAF1 P21675 1/20 0.34
▸ CECR2 Q9BXF3 1/20 0.34
▸ BRD9 Q9H8M2 1/20 0.34
▸ GSK3B P49841 3/20 0.33
▸ KCNH2 Q12809 2/20 0.33
▸ SLC2A1 P11166 1/20 0.33
▸ BRDT Q58F21 1/20 0.33
▸ BMPR1A P36894 1/20 0.33
▸ ACVRL1 P37023 1/20 0.33
▸ ACVR1 Q04771 1/20 0.33
▸ CDC7 O00311 1/20 0.33
▸ DAPK3 O43293 1/20 0.33
▸ DYRK3 O43781 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ RPS6KB1 P23443 1/20 0.33

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
SCHEMBL22554007 0.83 PIP4K2A (0.38) CCNCCDK8BRD4KCNH2SLC2A1
SCHEMBL22571002 0.83 BRD4 (0.39) CCNCCDK8BRD4KCNH2SLC2A1
SCHEMBL22554295 0.83 BRD4 (0.48) METAP2CCNCCDK8BRD4BRDT
SCHEMBL22554262 0.83 CCNC (0.39) METAP2CCNCCDK8BRD4KCNH2
SCHEMBL22554150 0.82 CDC7 (0.40) CCNCCDK8BRD4KCNH2BRDT
SCHEMBL22554254 0.75 PRKAB2 (0.41) CCNCCDK8ALDH1A1
SCHEMBL22553792 0.72 SMN1; SMN2 (0.41) METAP2CCNCCDK8CNR2
SCHEMBL30730803 0.72 SMN1; SMN2 (0.41) METAP2CCNCCDK8CNR2
SCHEMBL30730823 0.71 NPC1 (0.39) CCNCCDK8ROCK2CDK1CDK2
SCHEMBL22553955 0.70 PIM1 (0.42) CCNCCDK8BRD4

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-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
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 METAP2 2183/4885CCNC 2067/4885CDK8 1413/4885
US-11919902-B2 Aryl-bipyridine amine derivatives as phosphatidylinositol phosphate kinase inhibitors PIP5K1A, PIP5K1B, PIP5K1C METAP2 2183/4885CCNC 2067/4885CDK8 1413/4885

“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.