Sugi Predict

Sugi Predict / Compounds / SCHEMBL1780214

SCHEMBL1780214

SCHEMBL1780214

CNC(=O)c1ccn(C)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 9/20 0.53
▸ RAB9A P51151 9/20 0.53
▸ SMN1; SMN2 Q16637 5/20 0.53
▸ NFKB1 P19838 2/20 0.53
▸ NFKB2 Q00653 2/20 0.53
▸ RELA Q04206 2/20 0.53
▸ HPGD P15428 1/20 0.53
▸ LMNA P02545 3/20 0.51
▸ POLB P06746 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ ALDH1A1 P00352 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ TP53 P04637 1/20 0.50
▸ BAZ2B Q9UIF8 1/20 0.50
▸ PKM P14618 1/20 0.49
▸ KDM4E B2RXH2 2/20 0.48
▸ MAPT P10636 1/20 0.48
▸ GFER P55789 1/20 0.48
▸ TSHR P16473 1/20 0.44

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
SCHEMBL2831032 0.82 NPC1 (0.51) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL3293979 0.79 NPC1 (0.49) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL2757973 0.79 NPC1 (0.49) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL12448172 0.79 RAB9A (0.50) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL27326239 0.79 SMN1; SMN2 (0.50) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL24045054 0.78 BAZ2B (0.44) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL7515477 0.78 JMJD6 (0.53) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL2629340 0.77 — —
SCHEMBL263713 0.77 — —
SCHEMBL1779536 0.77 RAB9A (0.66) NPC1RAB9ASMN1; SMN2NFKB1NFKB2

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4232450-A1 BICYCLIC COMPOUNDS Aligos Therapeutics, Inc. (US) 2023-08-30 — — EP claimed
WO-2022087011-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. (US) 2022-04-28 — — WO claimed
CN-117024411-B Isoquinoline as HPK1 inhibitor 豪夫迈·罗氏有限公司 2026-05-19 — — CN disclosed
US-20260109698-A1 MALT-1 MODULATORS EXSCIENTIA AI LIMITED (GB) 2026-04-23 — — US disclosed
EP-4712961-A2 KRAS G12S AND G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2026-03-25 — — EP disclosed
US-20250051327-A1 MALT-1 MODULATORS RECURSION PHARMACEUTICALS, INC. 2025-02-13 — — US disclosed
WO-2024238633-A2 KRAS G12S AND G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2024-11-21 — — WO disclosed
WO-2024050370-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF 1CBIO, INC. (US) 2024-03-07 — — WO disclosed
CN-112004816-B PRC2 inhibitors 米拉蒂医疗股份有限公司 2024-01-05 — — CN disclosed
CN-110709392-B Isoquinoline as HPK1 inhibitor 豪夫迈·罗氏有限公司 2023-09-29 — — CN disclosed
CN-116724038-A Bicyclic compounds 安力高医药股份有限公司 2023-09-08 — — CN disclosed
US-20100093752-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-04-15 — — US disclosed
US-7662823-B2 Pharmaceutical formulations of substituted azaindoleoxoacetic piperazine derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-16 — — US disclosed
WO-2009153589-A1 PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2009-12-23 — — WO disclosed
US-20090306095-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2009-12-10 — — US disclosed
US-7501420-B2 Composition and antiviral of substituted azaindoleoxoacetic piperazine derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2009-03-10 — — US disclosed
US-20080119480-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2008-05-22 — — US disclosed
US-7371759-B2 HMG-CoA reductase inhibitors and method BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-13 — — US disclosed
US-7371759-B2 HMG-CoA reductase inhibitors and method BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-13 — — US disclosed
US-7354924-B2 Composition and antiviral activity of substituted azaindoleoxoacetic piperazine derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2008-04-08 — — 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 (5 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-20100093752-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS PREP, PEPD, DNPEP NPC1 1379/4885RAB9A 2819/4885SMN1; SMN2 4747/4885
US-20090306095-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IDO1, IDO2 NPC1 1827/4885RAB9A 3288/4885SMN1; SMN2 4726/4885
US-20080119480-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IDO1, IDO2 NPC1 1827/4885RAB9A 3288/4885SMN1; SMN2 4726/4885
US-20250051327-A1 MALT-1 MODULATORS MALT1, BCL6, BCL9 NPC1 570/4885RAB9A 593/4885SMN1; SMN2 2943/4885
US-20260109698-A1 MALT-1 MODULATORS MALT1, BCL6, BCL3 NPC1 1444/4885RAB9A 1057/4885SMN1; SMN2 2386/4885

“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.