SCHEMBL4449406

SCHEMBL4449406

Cc1c(Sc2cccnn2)oc2ccc(Cl)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.41
AKR1B1 P15121 1/20 0.37
KCNH2 Q12809 1/20 0.36
AHR P35869 6/20 0.35
ADORA3 P0DMS8 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
RAB9A P51151 2/20 0.33
RXFP1 Q9HBX9 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
MEN1 O00255 1/20 0.33
ADCY1 Q08828 1/20 0.33

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
SCHEMBL6167578 0.82 MCL1 (0.43) MCL1AKR1B1KCNH2AHRADORA3
SCHEMBL6176631 0.80 MCL1 (0.44) MCL1AKR1B1KCNH2AHRADORA3
SCHEMBL4453848 0.79 MCL1 (0.40) MCL1AKR1B1KCNH2AHRADORA3
SCHEMBL4462839 0.72 AKR1B1 (0.60) MCL1AKR1B1KCNH2ADORA3ALDH1A1
SCHEMBL11783622 0.71 MAPK14 (0.40) AHRALDH1A1LMNARAB9A
SCHEMBL11783145 0.67 ITGB2 (0.45) ALDH1A1KMT2ALMNAMEN1
SCHEMBL14409919 0.65 MCL1 (0.59) MCL1AKR1B1KCNH2AHRADORA3
SCHEMBL5263709 0.64 AKR1B1 (0.40) AKR1B1KCNH2AHRALDH1A1KMT2A
SCHEMBL4449382 0.63 MCL1 (0.56) MCL1AKR1B1KCNH2AHRADORA3
SCHEMBL25824628 0.63 MCL1 (0.56) MCL1AKR1B1KCNH2AHRADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572910-B2 Pyridazinone aldose reductase inhibitors PFIZER, INC. (US) 2009-08-11 US disclosed
EP-1491541-B1 Pyridazinone aldose reductase inhibitors PFIZER PROD INC (US) 2007-01-24 EP disclosed
US-20050113381-A1 Pyridazinone aldose reductase inhibitors MYLARI BANAVARA L (US) 2005-05-26 US disclosed
US-6849629-B2 Heteroaromatic substituted sulfonyl or sulfoxide or thio-pyridazinone derivatives, useful for treating diabetic complications and cardiovascular disorders PFIZER, INC. (US) 2005-02-01 US disclosed
EP-1373259-B1 PYRIDAZINONE ALDOSE REDUCTASE INHIBITORS PFIZER PROD INC (US) 2004-12-29 EP disclosed
EP-1373259-A1 PYRIDAZINONE ALDOSE REDUCTASE INHIBITORS Pfizer Products Inc. (US) 2004-01-02 EP disclosed
US-20030162784-A1 Pyridazinone aldose reductase inhibitors MYLARI BANAVARA L (US) 2003-08-28 US disclosed
US-6579879-B2 Pyridazinone aldose reductase inhibitors PFIZER INC 2003-06-17 US disclosed
WO-2002079198-A1 PYRIDAZINONE ALDOSE REDUCTASE INHIBITORS PFIZER PRODUCTS INC. (US) 2002-10-10 WO disclosed
US-20020143017-A1 Pyridazinone aldose reductase inhibitors MYLARI BANAVARA L (US) 2002-10-03 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-20050113381-A1 Pyridazinone aldose reductase inhibitors SLC5A1, ALDOA, AKR1B1 MCL1 4625/4885AKR1B1 3/4885KCNH2 593/4885
US-20030162784-A1 Pyridazinone aldose reductase inhibitors SLC5A1, ALDOA, AKR1B1 MCL1 4625/4885AKR1B1 3/4885KCNH2 593/4885
US-20020143017-A1 Pyridazinone aldose reductase inhibitors SLC5A1, AKR1B1, AKR1D1 MCL1 4705/4885AKR1B1 2/4885KCNH2 705/4885

“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.