SCHEMBL1128620

SCHEMBL1128620

Clc1ncnc2c1cnn2C1CCCCO1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.41
LMNA P02545 4/20 0.41
ALDH1A1 P00352 3/20 0.41
POLB P06746 1/20 0.41
TP53 P04637 5/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
TSHR P16473 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HSD17B10 Q99714 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 2/20 0.39
STAT1 P42224 1/20 0.39
CYP1A2 P05177 2/20 0.39
YTHDC1 Q96MU7 1/20 0.39
MAPK1 P28482 2/20 0.39
CYP2C9 P11712 1/20 0.39
NFKB1 P19838 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
SCHEMBL9666734 0.96 ALDH1A1 (0.45) CYP2C19LMNAALDH1A1POLBTP53
SCHEMBL56169 0.81 YTHDC1 (0.46) LMNAALDH1A1POLBYTHDC1CYP4F2
SCHEMBL16809888 0.81 CYP2C19 (0.39) CYP2C19LMNAALDH1A1POLBTP53
SCHEMBL16793799 0.80 CYP4F2 (0.42) LMNAALDH1A1POLBYTHDC1CYP4F2
SCHEMBL29705484 0.80 CYP4F2 (0.42) LMNAALDH1A1POLBYTHDC1CYP4F2
SCHEMBL31041669 0.80 RET (0.38) CYP2C19LMNAALDH1A1POLBTP53
SCHEMBL2075668 0.80 ABL1 (0.47) LMNATP53PI4KBMAPT
SCHEMBL19464241 0.79 LMNA (0.39) CYP2C19LMNAALDH1A1POLBTP53
SCHEMBL29705852 0.79 LMNA (0.39) CYP2C19LMNAALDH1A1POLBTP53
SCHEMBL19463518 0.79 ALDH1A1 (0.48) CYP2C19LMNAALDH1A1POLBTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230374017-A1 COMPOSITIONS AND METHODS FOR ACTIVATING PYRUVATE KINASE THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2023-11-23 US disclosed
EP-3868751-B1 2-AMINOQUINAZOLINE DERIVATIVES AS P70S6 KINASE INHIBITORS SENTINEL ONCOLOGY LTD (GB) 2023-10-25 EP disclosed
EP-3868751-B1 2-AMINOQUINAZOLINE DERIVATIVES AS P70S6 KINASE INHIBITORS SENTINEL ONCOLOGY LTD (GB) 2023-10-25 EP disclosed
CN-116249531-A Compositions and methods for activating pyruvate kinase 密执安大学评议会 2023-06-09 CN disclosed
EP-3444251-B1 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY BIOGEN MA INC (US) 2023-06-07 EP disclosed
EP-3444251-B1 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY BIOGEN MA INC (US) 2023-06-07 EP disclosed
US-20230121489-A1 N-PYRIDINYL ACETAMIDE DERIVATIVES AS WNT SIGNALLING PATHWAY INHIBITORS REDX PHARMA PLC (GB) 2023-04-20 US disclosed
US-20230121489-A1 N-PYRIDINYL ACETAMIDE DERIVATIVES AS WNT SIGNALLING PATHWAY INHIBITORS REDX PHARMA PLC (GB) 2023-04-20 US disclosed
EP-4071150-A1 N-PYRIDINYL ACETAMIDE DERIVATIVES AS WNT SIGNALLING PATHWAY INHIBITORS Redx Pharma Plc (GB) 2022-10-12 EP disclosed
US-11459326-B2 N-pyridinyl acetamide derivatives as Wnt signalling pathway inhibitors REDX PHARMA PLC (GB) 2022-10-04 US disclosed
WO-2006014325-A2 C-MET MODULATORS AND METHOD OF USE EXELIXIS, INC. (US) 2006-02-09 WO disclosed
US-20050054658-A1 4-Cycloalkylaminopyrazolo pyrimidine NMDA/NR2B antagonists THOMPSON WAYNE (US) 2005-03-10 US disclosed
WO-2005019221-A1 4-CYCLOALKYLAMINOPYRAZOLO PYRIMIDINE NMDA/NR2B ANTAGONISTS MERCK & CO., INC. (US) 2005-03-03 WO disclosed
WO-2005019221-A1 4-CYCLOALKYLAMINOPYRAZOLO PYRIMIDINE NMDA/NR2B ANTAGONISTS MERCK & CO., INC. (US) 2005-03-03 WO disclosed
WO-2005019222-A1 4-CYCLOALKYLAMINOPYRAZOLO PYRIMIDINE NMDA/NR2B ANTAGONISTS MERCK & CO., INC. (US) 2005-03-03 WO disclosed
WO-2005019222-A1 4-CYCLOALKYLAMINOPYRAZOLO PYRIMIDINE NMDA/NR2B ANTAGONISTS MERCK & CO., INC. (US) 2005-03-03 WO disclosed
US-RE35072-E Cardiotonic agents and antiarrhythmic agents ORTHO PHARMACEUTICAL CORPORATION (US) 1995-10-24 US disclosed
US-5001127-A 4-substituted pyrazolo[3,4-d]pyrimidine derivatives ORTHO PHARMACEUTICAL CORPORATION (US) 1991-03-19 US disclosed
US-4885300-A CARDIOTONIC AND ANTIARRHYTHMIA AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1989-12-05 US disclosed
EP-0331510-A2 4-Substituted pyrazolo[3,4-d]pyrimidine derivatives ORTHO PHARMACEUTICAL CORPORATION (US) 1989-09-06 EP 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 (4 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-11459326-B2 N-pyridinyl acetamide derivatives as Wnt signalling pathway inhibitors WNT1, WNT3, CTNNB1 CYP2C19 1644/4885LMNA 36/4885ALDH1A1 974/4885
US-20230121489-A1 N-PYRIDINYL ACETAMIDE DERIVATIVES AS WNT SIGNALLING PATHWAY INHIBITORS WNT1, WNT3, CTNNB1 CYP2C19 1644/4885LMNA 36/4885ALDH1A1 974/4885
US-20230374017-A1 COMPOSITIONS AND METHODS FOR ACTIVATING PYRUVATE KINASE PCK1, PDK2, PDK1 CYP2C19 3671/4885LMNA 1036/4885ALDH1A1 1403/4885
US-20050054658-A1 4-Cycloalkylaminopyrazolo pyrimidine NMDA/NR2B antagonists GRIN2B, GRIN1, GRIN2A CYP2C19 689/4885LMNA 4619/4885ALDH1A1 638/4885

“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.