Sugi Predict

Sugi Predict / Compounds / SCHEMBL22553833

SCHEMBL22553833

SCHEMBL22553833

Cn1ccc(-c2cncc(-c3ccc(N4CCCC4=O)cc3)c2)cc1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 5/20 0.42
▸ CHEK1 O14757 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CCNC P24863 2/20 0.40
▸ CDK8 P49336 2/20 0.40
▸ CYP11B2 P19099 3/20 0.40
▸ CYP11B1 P15538 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ BMPR1B O00238 2/20 0.40
▸ BMPR1A P36894 2/20 0.40
▸ ACVRL1 P37023 2/20 0.40
▸ ACVR1 Q04771 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ PHGDH O43175 1/20 0.40
▸ TGFBR1 P36897 1/20 0.40
▸ PIK3CD O00329 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ PIK3CB P42338 1/20 0.39
▸ PI4KA P42356 1/20 0.39

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
SCHEMBL28559152 0.84 CCNC (0.43) SYKCHEK1NPC1ALDH1A1CCNC
SCHEMBL22554035 0.84 BMPR1B (0.53) SYKCHEK1NPC1ALDH1A1CCNC
SCHEMBL22553727 0.81 ALDH1A1 (0.48) CHEK1NPC1ALDH1A1CYP11B2CYP11B1
SCHEMBL30730791 0.81 ALDH1A1 (0.48) CHEK1NPC1ALDH1A1CYP11B2CYP11B1
SCHEMBL22578402 0.79 CHEK1 (0.41) SYKCHEK1NPC1ALDH1A1CCNC
SCHEMBL22553779 0.79 BRD4 (0.47) SYKCHEK1NPC1ALDH1A1CCNC
SCHEMBL28559252 0.78 NPC1 (0.45) CHEK1NPC1ALDH1A1CCNCCDK8
SCHEMBL22578483 0.78 PIP4K2A (0.41) SYKCHEK1NPC1CCNCCDK8
SCHEMBL14908919 0.77 NPC1 (0.60) NPC1ALDH1A1CCNCCDK8CYP11B2
SCHEMBL28560413 0.77 SYK (0.45) SYKCHEK1NPC1ALDH1A1CCNC

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 4 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
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 SYK 984/4885CHEK1 478/4885NPC1 1648/4885
US-11919902-B2 Aryl-bipyridine amine derivatives as phosphatidylinositol phosphate kinase inhibitors PIP5K1A, PIP5K1B, PIP5K1C SYK 984/4885CHEK1 478/4885NPC1 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.