SCHEMBL487301

SCHEMBL487301

COCc1ccc(C)nc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.41
POLB P06746 1/20 0.40
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TLR7 Q9NYK1 1/20 0.37
MAOA P21397 1/20 0.37
DYRK1A Q13627 1/20 0.37
PDE10A Q9Y233 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2E1 P05181 1/20 0.35
CYP2A6 P11509 1/20 0.35
CYP2B6 P20813 1/20 0.35
CYP2C19 P33261 1/20 0.35
KLKB1 P03952 1/20 0.35

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
SCHEMBL7841404 0.84 PDE1B (0.39) TSHRSMN1; SMN2GAAPOLBLMNA
SCHEMBL14884459 0.84 HPGDS (0.40) POLBMAOADYRK1APDE10A
SCHEMBL15628256 0.81 TSHR (0.40) TSHRSMN1; SMN2GAAPOLBLMNA
SCHEMBL487644 0.79 TSHR (0.39) TSHRSMN1; SMN2GAAPOLBLMNA
SCHEMBL14329419 0.79 MEN1 (0.47) TSHRSMN1; SMN2GAAPOLBLMNA
SCHEMBL20373734 0.78 TSHR (0.41) TSHRSMN1; SMN2GAAPOLBLMNA
SCHEMBL14348154 0.78 MEN1 (0.43) TSHRSMN1; SMN2GAAPOLBLMNA
SCHEMBL18925717 0.78 TSHR (0.38) TSHRSMN1; SMN2GAAPOLBLMNA
SCHEMBL1257274 0.77 KDM1A (0.43) MEN1KMT2AMAOACYP2A6
SCHEMBL22912585 0.77 CYP11B1 (0.42) MAOADYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106200-B2 Pyridine borane complexes BASF SE (DE) 2012-01-31 US claimed
US-20110207934-A1 PYRIDINE BORANE COMPLEXES BASF SE (DE) 2011-08-25 US claimed
EP-2066631-B1 PYRIDINE BORANE COMPLEXES BASF SE (DE) 2011-04-06 EP claimed
CN-101516846-A Pyridine borane complexes BASF AG (DE) 2009-08-26 CN claimed
EP-2066631-A1 PYRIDINE BORANE COMPLEXES BASF SE (DE) 2009-06-10 EP claimed
WO-2008034886-A1 PYRIDINE BORANE COMPLEXES BASF SE (DE) 2008-03-27 WO claimed
US-20240229063-A1 TRANSGENIC CORN EVENT ZM_CSM63715 AND METHODS FOR DETECTION AND USES THEREOF MONSANTO TECHNOLOGY LLC (US) 2024-07-11 US disclosed
WO-2024081748-A2 INHIBITORS OF SOLUTE CARRIER FAMILY 6A MEMBER 19 (SLC6A19) AND METHODS OF USE THEREOF MAZE THERAPEUTICS, INC. (US) 2024-04-18 WO disclosed
US-20240025862-A1 SUBSTITUTED N-PHENYLURACILS AND SALTS THEREOF, AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2024-01-25 US disclosed
US-20230337672-A1 METHOD OF CONTROLLING SOYBEAN RUST FUNGUS HAVING RESISTANCE TO QoI FUNGICIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-10-26 US disclosed
US-11779018-B2 Heterocyclic compound and arthropod pest control composition containing same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-10-10 US disclosed
WO-2023161172-A1 SUBSTITUTED N-BENZOIC ACID URACILS AND SALTS THEREOF, AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2023-08-31 WO disclosed
EP-4230621-A1 SUBSTITUTED N-BENZOIC ACID URACILS, THEIR SALTS AND USE OF SAID COMPOUNDS AS HERBICIDAL AGENTS Bayer AG (DE) 2023-08-23 EP disclosed
US-7692030-B2 Conjugates of artemisinin-related endoperoxides and hydrazone derivatives for the treatment of cancer UNIVERSITY OF WASHINGTON (US) 2010-04-06 US disclosed
US-7692030-B2 Conjugates of artemisinin-related endoperoxides and hydrazone derivatives for the treatment of cancer UNIVERSITY OF WASHINGTON (US) 2010-04-06 US disclosed
CN-101516846-A Pyridine borane complexes BASF AG (DE) 2009-08-26 CN disclosed
US-20080103192-A1 CONJUGATES OF ARTEMISININ-RELATED ENDOPEROXIDES AND HYDRAZONE DERIVATIVES FOR THE TREATMENT OF CANCER WASHINGTON, UNIVERSITY OF (US) 2008-05-01 US disclosed
US-20080103192-A1 CONJUGATES OF ARTEMISININ-RELATED ENDOPEROXIDES AND HYDRAZONE DERIVATIVES FOR THE TREATMENT OF CANCER WASHINGTON, UNIVERSITY OF (US) 2008-05-01 US disclosed
US-20070225303-A1 8-Oxoadenine Compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-09-27 US disclosed
US-20070225303-A1 8-Oxoadenine Compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-09-27 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 (6 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-20070225303-A1 8-Oxoadenine Compound TLR7, CCR8, TLR8 TSHR 2378/4885SMN1; SMN2 2126/4885GAA 2372/4885
US-11779018-B2 Heterocyclic compound and arthropod pest control composition containing same C5, PRXL2A, NOX3 TSHR 470/4885SMN1; SMN2 2926/4885GAA 4503/4885
US-20230337672-A1 METHOD OF CONTROLLING SOYBEAN RUST FUNGUS HAVING RESISTANCE TO QoI FUNGICIDE CYC1, SQOR, MT-CO1 TSHR 3642/4885SMN1; SMN2 4428/4885GAA 2349/4885
US-20080103192-A1 CONJUGATES OF ARTEMISININ-RELATED ENDOPEROXIDES AND HYDRAZONE DERIVATIVES FOR THE TREATMENT OF CANCER DHPS, GPX4, DHFR TSHR 3609/4885SMN1; SMN2 4532/4885GAA 2023/4885
US-20240025862-A1 SUBSTITUTED N-PHENYLURACILS AND SALTS THEREOF, AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES PFAS, DDT, NOTUM TSHR 2216/4885SMN1; SMN2 4738/4885GAA 659/4885
US-20110207934-A1 PYRIDINE BORANE COMPLEXES NBAS, BRD8, PAXBP1 TSHR 3483/4885SMN1; SMN2 3809/4885GAA 4566/4885

“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.