SCHEMBL1878367

SCHEMBL1878367

COC(=O)c1cccn2ccnc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.49
POLB P06746 2/20 0.49
ATM Q13315 1/20 0.49
HCRTR2 O43614 1/20 0.48
LMNA P02545 2/20 0.46
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 2/20 0.42
CFTR P13569 1/20 0.42
AHR P35869 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
KMT2A Q03164 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
HTR2A P28223 1/20 0.41
MAP2K1 Q02750 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL17838193 0.87 IRAK4 (0.51) KDM4EPOLBATMHCRTR2LMNA
SCHEMBL183285 0.83 TSHR (0.53) KDM4EPOLBTSHRALDH1A1HSD17B10
SCHEMBL8313115 0.81 HTR2A (0.43) KDM4EHCRTR2TDP1ALDH1A1KMT2A
SCHEMBL20330342 0.81 TP53 (0.43) GAAHTR2AIRAK4
SCHEMBL1419899 0.80 KDM4E (0.50) KDM4ELMNATSHRTDP1ALDH1A1
SCHEMBL2658095 0.78 HCRTR2 (0.42) KDM4EPOLBATMHCRTR2LMNA
SCHEMBL1756867 0.78 HTR2A (0.43) KDM4EHCRTR2TDP1HTR2AIRAK4
Lithium SCHEMBL31115344 0.78 DHODH (0.49) KDM4ELMNATSHRTDP1ALDH1A1
SCHEMBL1420264 0.78 MKNK1 (0.47) KDM4ETSHRALDH1A1HSD17B10MAPT
Hydrochloric Acid SCHEMBL9091092 0.78 DHODH (0.49) KDM4ELMNATSHRTDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5498774-A FUNGICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-03-12 US claimed
JP-4018091-A None JP disclosed
EP-4476219-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BeiGene, Ltd. (KY) 2024-12-18 EP disclosed
CN-118974033-A Bcl-xL inhibitors 百济神州有限公司 2024-11-15 CN disclosed
CN-118696043-A Heterocyclic compounds, compositions thereof and methods of treatment therewith 百济神州有限公司 2024-09-24 CN disclosed
EP-4289813-A2 INTERMEDIATES TO OBTAIN SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION Global Blood Therapeutics, Inc. (US) 2023-12-13 EP disclosed
EP-4289813-A2 INTERMEDIATES TO OBTAIN SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION Global Blood Therapeutics, Inc. (US) 2023-12-13 EP disclosed
US-20230255963-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS INC (US) 2023-08-17 US disclosed
US-20230255963-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS INC (US) 2023-08-17 US disclosed
WO-2023151636-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BEIGENE , LTD. (KY) 2023-08-17 WO disclosed
US-20050020611-A1 Compounds PFIZER INC. 2005-01-27 US disclosed
US-20050020626-A1 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC 2005-01-27 US disclosed
US-20050020639-A1 Novel compounds PFIZER INC 2005-01-27 US disclosed
EP-1077701-A4 ANTI-VIRAL COMPOUNDS LILLY CO ELI (US) 2002-03-20 EP disclosed
EP-1077701-A1 ANTI-VIRAL COMPOUNDS ELI LILLY AND COMPANY (US) 2001-02-28 EP disclosed
WO-1999059587-A1 ANTI-VIRAL COMPOUNDS ELI LILLY AND COMPANY (US) 1999-11-25 WO disclosed
US-5498774-A FUNGICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-03-12 US disclosed
EP-0404190-B1 Condensed heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-10-25 EP disclosed
JP-H0418091-A NEW CONDENSED HETEROCYCLIC COMPOUND, ITS PRODUCTION AND FUNGICIDE FOR AGRICULTURAL AND HORTICULTURAL USE TAKEDA CHEM IND LTD 1992-01-22 JP disclosed
EP-0404190-A1 Condensed heterocyclic compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1990-12-27 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-20050020611-A1 Compounds NQO1, NAMPT, NNT KDM4E 3109/4885POLB 1310/4885ATM 4105/4885
US-20230255963-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION HBB, HBG2, MB KDM4E 863/4885POLB 2211/4885ATM 1578/4885
US-20050020626-A1 Nicotinamide derivatives useful as PDE4 inhibitors PDE4A, PDE4B, PDE4C KDM4E 1254/4885POLB 1021/4885ATM 2712/4885
US-20050020639-A1 Novel compounds NQO1, NAMPT, NADK KDM4E 2535/4885POLB 1403/4885ATM 3254/4885

“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.