SCHEMBL4265285

SCHEMBL4265285

NN1CNc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 1/20 0.41
GAA P10253 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
BRD4 O60885 2/20 0.35
HSD17B3 P37058 1/20 0.35
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
NOS2 P35228 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
OGFRL1 Q5TC84 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
Hydrochloric Acid SCHEMBL29450350 0.98 BRPF1 (0.40) BRPF1GAAMEN1KMT2ABRD4
Pyridine SCHEMBL28814125 0.89 BRPF1 (0.35) BRPF1GAAMEN1KMT2ABRD4
SCHEMBL3311949 0.78 AVPR1A (0.40) BRPF1GAAMEN1KMT2ABRD4
SCHEMBL19054509 0.74 BRPF1 (0.36) BRPF1GAAMEN1KMT2ABRD4
SCHEMBL27738677 0.74 ALDH1A1 (0.41) BRPF1GAAMEN1KMT2ABRD4
SCHEMBL4013751 0.73 BRPF1 (0.50) BRPF1GAAMEN1KMT2ABRD4
SCHEMBL8304937 0.73 BRPF1 (0.41) BRPF1GAAMEN1KMT2ABRD4
SCHEMBL21400260 0.73 BRPF1 (0.41) BRPF1GAAMEN1KMT2ABRD4
SCHEMBL17114712 0.73 BRPF1 (0.41) BRPF1GAAMEN1KMT2ABRD4
SCHEMBL9521938 0.73 BRPF1 (0.41) BRPF1GAAMEN1KMT2ABRD4

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090022729-A1 METHODS AND COMPOSITIONS FOR TREATING CARDIAC DYSFUNCTIONS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-01-22 US claimed
US-20210147478-A1 INHIBITORS OF BLOOD COAGULATION FACTOR XIII ZEDIRA GMBH (DE) 2021-05-20 US disclosed
US-10064861-B2 Macrocyclic pyridazinone derivatives MERCK PATENT GMBH (DE) 2018-09-04 US disclosed
EP-2953952-B1 MACROCYCLIC PYRIDAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2017-06-07 EP disclosed
US-20170143713-A1 MACROCYCLIC PYRIDAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2017-05-25 US disclosed
US-9550794-B2 Macrocyclic pyridazinone derivatives MERCK PATENT GMBH (DE) 2017-01-24 US disclosed
US-20150376206-A1 MACROCYCLIC PYRIDAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2015-12-31 US disclosed
EP-2953952-A1 MACROCYCLIC PYRIDAZINONE DERIVATIVES Merck Patent GmbH (DE) 2015-12-16 EP disclosed
CN-105008371-A Macrocyclic pyridazinone derivatives MERCK PATENT GMBH 2015-10-28 CN disclosed
WO-2014121942-A1 MACROCYCLIC PYRIDAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2014-08-14 WO disclosed
US-20090022729-A1 METHODS AND COMPOSITIONS FOR TREATING CARDIAC DYSFUNCTIONS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-01-22 US disclosed
US-4766110-A INHIBITS ANGIOTENSIN CONVERTING ENZYME, HYPOTENSIVE AGENTS RYAN JAMES W (US) 1988-08-23 US disclosed
EP-0073143-B1 NOVEL COMPLEX AMIDO AND IMIDO DERIVATIVES OF CARBOXYALKYL PEPTIDES AND THIOETHERS AND ETHERS OF PEPTIDES Ryan, James Walter (US) 1985-11-21 EP disclosed
EP-0073143-A2 Novel complex amido and imido derivatives of carboxyalkyl peptides and thioethers and ethers of peptides Ryan, James Walter (US) 1983-03-02 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 (5 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-10064861-B2 Macrocyclic pyridazinone derivatives C5, PDXK, CYP1A2 BRPF1 1480/4885GAA 2397/4885MEN1 320/4885
US-20170143713-A1 MACROCYCLIC PYRIDAZINONE DERIVATIVES C5, PDXK, CYP1A2 BRPF1 1480/4885GAA 2397/4885MEN1 320/4885
US-20210147478-A1 INHIBITORS OF BLOOD COAGULATION FACTOR XIII TFPI, F11, F13B BRPF1 1850/4885GAA 606/4885MEN1 1959/4885
US-20090022729-A1 METHODS AND COMPOSITIONS FOR TREATING CARDIAC DYSFUNCTIONS TNNI3, MYLK2, FABP3 BRPF1 1959/4885GAA 3197/4885MEN1 4466/4885
US-20150376206-A1 MACROCYCLIC PYRIDAZINONE DERIVATIVES CYP1A1, VDR, NQO1 BRPF1 1700/4885GAA 2663/4885MEN1 355/4885

“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.