SCHEMBL2404530

SCHEMBL2404530

CNc1ccc(-c2ccccc2)nn1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
USP2 O75604 2/20 0.50
TP53 P04637 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
PKM P14618 1/20 0.50
TDP1 Q9NUW8 1/20 0.47
ACHE P22303 7/20 0.47
BCHE P06276 2/20 0.44
BPTF Q12830 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL22295927 0.82 RAB9A (0.47) NPC1RAB9ATP53SMN1; SMN2PKM
SCHEMBL1752770 0.79 MAPT (0.47) NPC1RAB9AUSP2TP53SMN1; SMN2
SCHEMBL2493590 0.79 RAB9A (0.62) NPC1RAB9AUSP2TP53SMN1; SMN2
SCHEMBL21017428 0.79 NPC1 (0.47) NPC1RAB9AUSP2TP53SMN1; SMN2
Hydrochloric Acid SCHEMBL3592354 0.78 MAPT (0.46) NPC1RAB9AUSP2TP53SMN1; SMN2
SCHEMBL1752922 0.78 RAB9A (0.62) NPC1RAB9AUSP2TP53SMN1; SMN2
SCHEMBL19521326 0.76 TYK2 (0.45) SMN1; SMN2
SCHEMBL29494637 0.76 TYK2 (0.45) SMN1; SMN2
SCHEMBL19153613 0.75 KDM4E (0.67) NPC1RAB9ATP53SMN1; SMN2PKM
SCHEMBL20312702 0.75 ACHE (0.43) NPC1RAB9AUSP2TP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0225886-B1 NEW PYRIDAZINE COMPOSITIONS, PRODUCTION PROCESS THEREOF AND FUNGICIDES AND ALGICIDES CONTAINING THEM AGROLINZ AGRARCHEMIKALIEN GESELLSCHAFT M.B.H. (AT) 1990-06-20 EP claimed
EP-0225886-A1 NEW PYRIDAZINE COMPOSITIONS, PRODUCTION PROCESS THEREOF AND FUNGICIDES AND ALGICIDES CONTAINING THEM. CHEMIE LINZ AG (AT) 1987-06-24 EP claimed
WO-1986006719-A1 NEW PYRIDAZINE COMPOSITIONS, PRODUCTION PROCESS THEREOF AND FUNGICIDES AND ALGICIDES CONTAINING THEM CHEMIE LINZ AKTIENGESELLSCHAFT (AT) 1986-11-20 WO claimed
US-11535597-B2 Photoreactive ligands and uses thereof THE SCRIPPS RESEARCH INSTITUTE (US) 2022-12-27 US disclosed
US-20200071277-A1 PHOTOREACTIVE LIGANDS AND USES THEREOF THE SCRIPPS RESEARCH INSTITUTE 2020-03-05 US disclosed
US-9242961-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2016-01-26 US disclosed
US-20140066430-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2014-03-06 US disclosed
US-20120245125-A1 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS UNIVERSITE LOUIS PASTEUR DE STRASBOURG (FR) 2012-09-27 US disclosed
US-20110263530-A1 Aurora Kinase Modulators and Method of Use AMGEN INC. (US) 2011-10-27 US disclosed
US-8022221-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2011-09-20 US disclosed
US-7560551-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2009-07-14 US disclosed
EP-1325910-B1 ALIPHATIC NITROGENOUS FIVE-MEMBERED RING COMPOUNDS MITSUBISHI TANABE PHARMA CORP (JP) 2008-09-17 EP disclosed
US-20070185111-A1 Aurora kinase modulators and method of use AMGEN INC. 2007-08-09 US disclosed
US-7160877-B2 Aliphatic nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. (JP) 2007-01-09 US disclosed
EP-0225886-B1 NEW PYRIDAZINE COMPOSITIONS, PRODUCTION PROCESS THEREOF AND FUNGICIDES AND ALGICIDES CONTAINING THEM AGROLINZ AGRARCHEMIKALIEN GESELLSCHAFT M.B.H. (AT) 1990-06-20 EP disclosed
EP-0225886-B1 NEW PYRIDAZINE COMPOSITIONS, PRODUCTION PROCESS THEREOF AND FUNGICIDES AND ALGICIDES CONTAINING THEM AGROLINZ AGRARCHEMIKALIEN GESELLSCHAFT M.B.H. (AT) 1990-06-20 EP disclosed
EP-0225886-A1 NEW PYRIDAZINE COMPOSITIONS, PRODUCTION PROCESS THEREOF AND FUNGICIDES AND ALGICIDES CONTAINING THEM. CHEMIE LINZ AG (AT) 1987-06-24 EP disclosed
EP-0225886-A1 NEW PYRIDAZINE COMPOSITIONS, PRODUCTION PROCESS THEREOF AND FUNGICIDES AND ALGICIDES CONTAINING THEM. CHEMIE LINZ AG (AT) 1987-06-24 EP disclosed
WO-1986006719-A1 NEW PYRIDAZINE COMPOSITIONS, PRODUCTION PROCESS THEREOF AND FUNGICIDES AND ALGICIDES CONTAINING THEM CHEMIE LINZ AKTIENGESELLSCHAFT (AT) 1986-11-20 WO disclosed
WO-1986006719-A1 NEW PYRIDAZINE COMPOSITIONS, PRODUCTION PROCESS THEREOF AND FUNGICIDES AND ALGICIDES CONTAINING THEM CHEMIE LINZ AKTIENGESELLSCHAFT (AT) 1986-11-20 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 (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-20140066430-A1 AURORA KINASE MODULATORS AND METHOD OF USE AURKC, AURKA, AURKB NPC1 1051/4885RAB9A 1770/4885USP2 3071/4885
US-11535597-B2 Photoreactive ligands and uses thereof CLTB, CRYAB, CRYAA NPC1 4135/4885RAB9A 634/4885USP2 1446/4885
US-20070185111-A1 Aurora kinase modulators and method of use AURKC, AURKA, CDK1 NPC1 996/4885RAB9A 2470/4885USP2 3035/4885
US-20120245125-A1 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS PSEN1, PSEN2, APP NPC1 2193/4885RAB9A 4169/4885USP2 3051/4885
US-20200071277-A1 PHOTOREACTIVE LIGANDS AND USES THEREOF CLTB, CRYAB, CRYAA NPC1 4135/4885RAB9A 634/4885USP2 1446/4885
US-20110263530-A1 Aurora Kinase Modulators and Method of Use AURKC, AURKA, AURKB NPC1 1051/4885RAB9A 1770/4885USP2 3071/4885

“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.