Sugi Predict

Sugi Predict / Compounds / SCHEMBL3536114

SCHEMBL3536114

SCHEMBL3536114

NCC1CCCCCCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.54
▸ SIGMAR1 Q99720 1/20 0.48
▸ NCF1 P14598 1/20 0.46
▸ PLG P00747 1/20 0.42
▸ PLAT P00750 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ EPHX1 P07099 1/20 0.41
▸ NOS1 P29475 1/20 0.39
▸ NOS2 P35228 1/20 0.39
▸ CHRM5 P08912 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ ADRA2C P18825 1/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ CHRM4 P08173 1/20 0.39
▸ CHRM1 P11229 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
SCHEMBL15444322 1.00 CYP2D6 (0.54) CYP2D6SIGMAR1NCF1PLGPLAT
SCHEMBL18102722 1.00 CYP2D6 (0.54) CYP2D6SIGMAR1NCF1PLGPLAT
SCHEMBL19992007 1.00 CYP2D6 (0.54) CYP2D6SIGMAR1NCF1PLGPLAT
SCHEMBL131302 1.00 CYP2D6 (0.54) CYP2D6SIGMAR1NCF1PLGPLAT
SCHEMBL14417464 1.00 CYP2D6 (0.54) CYP2D6SIGMAR1NCF1PLGPLAT
SCHEMBL13893972 1.00 CYP2D6 (0.54) CYP2D6SIGMAR1NCF1PLGPLAT
Decarboxylated Derivative SCHEMBL9465 1.00 — —
SCHEMBL19099823 1.00 CYP2D6 (0.54) CYP2D6SIGMAR1NCF1PLGPLAT
SCHEMBL22078896 1.00 CYP2D6 (0.54) CYP2D6SIGMAR1NCF1PLGPLAT
Decarboxylated Derivative SCHEMBL5183307 1.00 CYP2D6 (0.54) CYP2D6SIGMAR1NCF1PLGPLAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312630-A1 PHOSPHORAMIDITE SYNTHESIS ON-DEMAND AARHUS UNIVERSITET (DK) 2023-10-05 — — US disclosed
US-20230250110-A1 DEUTERATED IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-08-10 — — US disclosed
US-20220050049-A1 METHODS AND SYSTEMS FOR INTEGRATED ON-CHIP SINGLE-MOLECULE DETECTION NAUTILUS SUBSIDIARY, INC. 2022-02-17 — — US disclosed
US-11197858-B2 Substituted amines for treating cardiac diseases CARDURION PHARMACEUTICALS, LLC (US) 2021-12-14 — — US disclosed
WO-2021188880-A1 BENZENESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF AMATHUS THERAPEUTICS, INC. (US) 2021-09-23 — — WO disclosed
US-20200407724-A1 TARGETED COMPOSITIONS ARBUTUS BIOPHARMA CORPORATION (CA) 2020-12-31 — — US disclosed
US-20200352511-A1 SYSTEMS AND METHODS FOR CONTINUOUS HEALTH MONITORING USING AN OPTO-ENZYMATIC ANALYTE SENSOR WILLOW LABORATORIES, INC. 2020-11-12 — — US disclosed
US-20200190045-A1 FERROPORTIN INHIBITORS AND METHODS OF USE GLOBAL BLOOD THERAPEUTICS, INC. 2020-06-18 — — US disclosed
EP-3604309-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS Mutabilis (FR) 2020-02-05 — — EP disclosed
US-10414770-B2 Compounds and methods for inhibiting mitotic progression MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-09-17 — — US disclosed
WO-2008044667-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-04-17 — — WO disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 — — WO disclosed
US-20050171128-A1 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC 2005-08-04 — — US disclosed
US-6890929-B2 Immunosuppressants; lupus, multiple sclerosis, skin disorders, antiarthritic agents, antihistamines, antiulcer agents, Crohn's disease PFIZER, INC. (US) 2005-05-10 — — US disclosed
EP-1087970-B1 PYRROLO 2,3-d]PYRIMIDINE COMPOUNDS PFIZER PROD INC (US) 2004-04-28 — — EP disclosed
US-20030212273-A1 Pyrrolo [2,3-D] pyrimidine compounds PFIZER INC. 2003-11-13 — — US disclosed
US-6610847-B2 Tyrosine kinase inhibitors; immunosuppressants PFIZER INC. 2003-08-26 — — US disclosed
US-20020019526-A1 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC. 2002-02-14 — — US disclosed
EP-1087970-A1 PYRROLO 2,3-d]PYRIMIDINE COMPOUNDS Pfizer Products Inc. (US) 2001-04-04 — — EP disclosed
WO-1999065908-A1 PYRROLO[2,3-d]PYRIMIDINE COMPOUNDS PFIZER PRODUCTS INC. (US) 1999-12-23 — — WO 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 (8 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-20230312630-A1 PHOSPHORAMIDITE SYNTHESIS ON-DEMAND RNGTT, PPA1, PNP CYP2D6 4170/4885SIGMAR1 4304/4885NCF1 881/4885
US-11197858-B2 Substituted amines for treating cardiac diseases TNNI3, CALM1, CAMK2G CYP2D6 1410/4885SIGMAR1 2571/4885NCF1 2001/4885
US-10414770-B2 Compounds and methods for inhibiting mitotic progression AURKC, AURKA, AURKB CYP2D6 4519/4885SIGMAR1 4758/4885NCF1 2342/4885
US-20020019526-A1 Pyrrolo[2,3-d]pyrimidine compounds JAK1, JAK3, JAK2 CYP2D6 1996/4885SIGMAR1 4528/4885NCF1 1894/4885
US-20050171128-A1 Pyrrolo[2,3-d]pyrimidine compounds JAK3, JAK1, JAK2 CYP2D6 1867/4885SIGMAR1 4492/4885NCF1 2256/4885
US-20230250110-A1 DEUTERATED IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 CYP2D6 3514/4885SIGMAR1 2997/4885NCF1 3364/4885
US-20200190045-A1 FERROPORTIN INHIBITORS AND METHODS OF USE SLC40A1, HAMP, TFRC CYP2D6 819/4885SIGMAR1 1854/4885NCF1 638/4885
US-20030212273-A1 Pyrrolo [2,3-D] pyrimidine compounds JAK1, JAK3, JAK2 CYP2D6 1996/4885SIGMAR1 4528/4885NCF1 1894/4885

“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.