SCHEMBL2562875

SCHEMBL2562875

Clc1ccc(-n2cccn2)nn1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.48
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.46
BRD4 O60885 2/20 0.43
CYP1A2 P05177 1/20 0.43
LMNA P02545 1/20 0.42
BPTF Q12830 1/20 0.41
KMT2A Q03164 2/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38

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
SCHEMBL27336148 0.77 KDM4E (0.46) NOTUMALDH1A1KDM4EBRD4LMNA
SCHEMBL24921501 0.74 KDM4E (0.43) NOTUMALDH1A1KDM4EBRD4CYP1A2
SCHEMBL31517328 0.73 ALDH1A1 (0.50) NOTUMALDH1A1KDM4ECYP1A2LMNA
SCHEMBL6482737 0.72 ALDH1A1 (0.48) NOTUMALDH1A1KDM4EBRD4LMNA
SCHEMBL22925970 0.72 LMNA (0.57) NOTUMALDH1A1KDM4ECYP1A2LMNA
SCHEMBL12081541 0.72 LMNA (0.56) ALDH1A1KDM4EBRD4CYP1A2LMNA
SCHEMBL27547425 0.71 BPTF (0.50) ALDH1A1CYP1A2LMNABPTFKMT2A
SCHEMBL4328742 0.71 ALDH1A1 (0.47) NOTUMALDH1A1KDM4EBRD4LMNA
SCHEMBL23560769 0.70 BPTF (0.54) ALDH1A1KDM4ECYP1A2BPTF
SCHEMBL24240149 0.69 CYP1A2 (0.43) ALDH1A1CYP1A2LMNABPTFKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230286946-A1 DIFLUOROMETHYL-PYRIDIN-2-YL TRIAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-09-14 US disclosed
US-20230286946-A1 DIFLUOROMETHYL-PYRIDIN-2-YL TRIAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-09-14 US disclosed
EP-3992188-A1 DIFLUOROMETHYL-PYRIDIN-2-YL TRIAZOLES Boehringer Ingelheim International GmbH (DE) 2022-05-04 EP disclosed
EP-3950683-A1 DIFLUOROMETHYL-PYRIDIN-2-YL TRIAZOLES Boehringer Ingelheim International GmbH (DE) 2022-02-09 EP disclosed
WO-2021123291-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2021-06-24 WO disclosed
WO-2021094312-A1 PYRROLIDINE AND BICYCLOHETEROARYL CONTAINING OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2021-05-20 WO disclosed
CN-107266419-B Certain amino-pyridazines, compositions thereof, and methods of use thereof 赛特凯恩蒂克公司 2021-05-11 CN disclosed
US-20210038607-A1 OXADIAZOLYLTHIOPHENE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS KARUS THERAPEUTICS LIMITED (GB) 2021-02-11 US disclosed
US-20210038607-A1 OXADIAZOLYLTHIOPHENE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS KARUS THERAPEUTICS LIMITED (GB) 2021-02-11 US disclosed
EP-3759106-A1 OXADIAZOLYLTHIOPHENE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS Karus Therapeutics Ltd (GB) 2021-01-06 EP disclosed
US-8969346-B2 Amino-pyridazine skeletal muscle modulators CYTOKINETICS, INC. (US) 2015-03-03 US disclosed
US-8969346-B2 Amino-pyridazine skeletal muscle modulators CYTOKINETICS, INC. (US) 2015-03-03 US disclosed
US-8969346-B2 Amino-pyridazine skeletal muscle modulators CYTOKINETICS, INC. (US) 2015-03-03 US disclosed
US-20130143862-A1 CERTAIN AMINO-PYRIDAZINES, COMPOSITIONS THEREOF, AND METHODS OF THEIR USE CYTOKINETICS, INC. 2013-06-06 US disclosed
US-20130143862-A1 CERTAIN AMINO-PYRIDAZINES, COMPOSITIONS THEREOF, AND METHODS OF THEIR USE CYTOKINETICS, INC. 2013-06-06 US disclosed
US-20130143862-A1 CERTAIN AMINO-PYRIDAZINES, COMPOSITIONS THEREOF, AND METHODS OF THEIR USE CYTOKINETICS, INC. 2013-06-06 US disclosed
EP-2563365-A1 CERTAIN AMINO-PYRIDAZINES, COMPOSITIONS THEREOF, AND METHODS OF THEIR USE Cytokinetics, Inc. (US) 2013-03-06 EP disclosed
WO-2011133882-A1 CERTAIN AMINO-PYRIDAZINES, COMPOSITIONS THEREOF, AND METHODS OF THEIR USE CYTOKINETICS, INC. (US) 2011-10-27 WO disclosed
WO-2011133882-A1 CERTAIN AMINO-PYRIDAZINES, COMPOSITIONS THEREOF, AND METHODS OF THEIR USE CYTOKINETICS, INC. (US) 2011-10-27 WO disclosed
US-4224325-A 3-(1-Pyrazolyl)-pyridazine derivatives and hypotensive compositions thereof RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1980-09-23 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 (3 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-20130143862-A1 CERTAIN AMINO-PYRIDAZINES, COMPOSITIONS THEREOF, AND METHODS OF THEIR USE SLC7A1, F12, C5 NOTUM 3417/4885ALDH1A1 1962/4885KDM4E 1876/4885
US-20210038607-A1 OXADIAZOLYLTHIOPHENE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC5, HDAC3 NOTUM 3258/4885ALDH1A1 1350/4885KDM4E 581/4885
US-20230286946-A1 DIFLUOROMETHYL-PYRIDIN-2-YL TRIAZOLES GABRA5, GABRA3, GABRA2 NOTUM 2862/4885ALDH1A1 509/4885KDM4E 1704/4885

“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.