Sugi Predict

Sugi Predict / Compounds / SCHEMBL22553934

SCHEMBL22553934

SCHEMBL22553934

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ CYP11B2 P19099 3/20 0.43
▸ HPGDS O60760 1/20 0.40
▸ BRD4 O60885 1/20 0.39
▸ BRDT Q58F21 1/20 0.39
▸ CCNC P24863 2/20 0.39
▸ CDK8 P49336 2/20 0.39
▸ IP6K1 Q92551 1/20 0.39
▸ IP6K3 Q96PC2 1/20 0.39
▸ IP6K2 Q9UHH9 1/20 0.39
▸ PIP4K2A P48426 1/20 0.39
▸ CREBBP Q92793 2/20 0.38
▸ CHEK1 O14757 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ DGAT2 Q96PD7 1/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ TP53 P04637 1/20 0.37
▸ GLA P06280 1/20 0.37

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
SCHEMBL22553785 0.88 CYP11B2 (0.45) NPC1CYP11B2HPGDSBRD4BRDT
SCHEMBL22554063 0.86 BRD4 (0.45) NPC1CYP11B2BRD4BRDTCCNC
SCHEMBL22553926 0.83 ROCK2 (0.47) NPC1MEN1KMT2ACYP11B2HPGDS
SCHEMBL22554136 0.83 BRD4 (0.41) NPC1CYP11B2BRD4BRDTCCNC
SCHEMBL22554069 0.83 BRD4 (0.42) NPC1CYP11B2BRD4BRDTCCNC
SCHEMBL30730796 0.83 BRD4 (0.42) NPC1CYP11B2BRD4BRDTCCNC
SCHEMBL22553891 0.83 BRD4 (0.44) NPC1CYP11B2BRD4BRDTCCNC
SCHEMBL22553735 0.82 BRD4 (0.41) NPC1CYP11B2BRD4BRDTCCNC
SCHEMBL22553729 0.82 BRD4 (0.43) NPC1CYP11B2BRD4BRDTCCNC
SCHEMBL22554125 0.82 BRD4 (0.43) NPC1CYP11B2BRD4BRDTCCNC

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 claimed
CN-112088157-B Aryl-bipyridylamine derivatives as phosphatidylinositol phosphokinase inhibitors 拉文纳制药公司 2023-12-26 — — CN 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 NPC1 1648/4885MEN1 4310/4885KMT2A 1906/4885
US-11919902-B2 Aryl-bipyridine amine derivatives as phosphatidylinositol phosphate kinase inhibitors PIP5K1A, PIP5K1B, PIP5K1C NPC1 1648/4885MEN1 4310/4885KMT2A 1906/4885

“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.