SCHEMBL469120

SCHEMBL469120

NCC1CCCCCCCC1

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
SCHEMBL14417956 1.00 CYP2D6 (0.54) CYP2D6SIGMAR1NCF1PLGPLAT
SCHEMBL19992007 1.00 CYP2D6 (0.54) CYP2D6SIGMAR1NCF1PLGPLAT
Decarboxylated Derivative SCHEMBL5183307 1.00 CYP2D6 (0.54) CYP2D6SIGMAR1NCF1PLGPLAT
SCHEMBL15444322 1.00 CYP2D6 (0.54) CYP2D6SIGMAR1NCF1PLGPLAT
SCHEMBL131302 1.00 CYP2D6 (0.54) CYP2D6SIGMAR1NCF1PLGPLAT
SCHEMBL17117548 1.00 CYP2D6 (0.54) CYP2D6SIGMAR1NCF1PLGPLAT
SCHEMBL10990399 1.00 CYP2D6 (0.54) CYP2D6SIGMAR1NCF1PLGPLAT
SCHEMBL12252084 1.00 CYP2D6 (0.54) CYP2D6SIGMAR1NCF1PLGPLAT
SCHEMBL22078896 1.00 CYP2D6 (0.54) CYP2D6SIGMAR1NCF1PLGPLAT
SCHEMBL18102722 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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024015863-A1 CBL-B INHIBITOR, COMPOSITIONS COMPRISING A CBL-B INHIBITOR IN A METHOD OF TREATING A DISEASE ASSOCIATED WITH CELL PROLIFERATION HOTSPOT THERAPEUTICS, INC. (US) 2024-01-18 — — WO disclosed
US-11834417-B2 Compositions for the treatment of hypertension and/or fibrosis VECTUS BIOSYSTEMS LIMITED (AU) 2023-12-05 — — US disclosed
EP-3830087-B1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS MUTABILIS (FR) 2023-05-24 — — EP disclosed
US-11566025-B2 Viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-01-31 — — US disclosed
WO-2022114908-A1 ORAL FORMULATION OF BIOLOGICALLY ACTIVE MATERIAL CONJUGATE HAVING BIOTIN MOIETY, FATTY ACID MOIETY, OR COMBINATION THEREOF COUPLED THERETO (주)디앤디파마텍 2022-06-02 — — WO disclosed
EP-3984997-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE Les Laboratoires Servier SAS (FR) 2022-04-20 — — EP disclosed
US-20210361636-A1 FUSED RING COMPOUND HAVING UREA STRUCTURE DAIICHI SANKYO COMPANY LIMITED (JP) 2021-11-25 — — US disclosed
WO-2021188880-A1 BENZENESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF AMATHUS THERAPEUTICS, INC. (US) 2021-09-23 — — WO disclosed
US-11125742-B2 Non-specific reaction inhibitor, method for inhibiting non-specific reaction, and kit LSI MEDIENCE CORPORATION (JP) 2021-09-21 — — US disclosed
US-20210253534-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS CHINA NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH CO., LTD (CN) 2021-08-19 — — US disclosed
US-20120061325-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS THE CURATORS OF THE UNIVERSITY OF MISSOURI 2012-03-15 — — US disclosed
US-7687507-B2 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC. (US) 2010-03-30 — — US 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 (9 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-20120061325-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS BTD, TTPA, SLC39A7 CYP2D6 4832/4885SIGMAR1 3790/4885NCF1 737/4885
US-20210361636-A1 FUSED RING COMPOUND HAVING UREA STRUCTURE NAMPT, NME4, ABAT CYP2D6 3960/4885SIGMAR1 3874/4885NCF1 1742/4885
US-11125742-B2 Non-specific reaction inhibitor, method for inhibiting non-specific reaction, and kit KIT, SPR, SHBG CYP2D6 862/4885SIGMAR1 1343/4885NCF1 893/4885
US-11566025-B2 Viral replication inhibitors EIF2AK2, MAVS, ZC3HAV1 CYP2D6 3515/4885SIGMAR1 3557/4885NCF1 1198/4885
US-20210253534-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS NR1H4, GPBAR1, SLC10A1 CYP2D6 647/4885SIGMAR1 613/4885NCF1 1648/4885
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-11834417-B2 Compositions for the treatment of hypertension and/or fibrosis TGFB1, REN, TGFB2 CYP2D6 4711/4885SIGMAR1 3513/4885NCF1 1276/4885
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.

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