SCHEMBL2017137

SCHEMBL2017137

CCCCN(CC)c1nnc(-c2cccc3cccnc23)c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
CRHR1 P34998 3/20 0.39
ALOX15 P16050 1/20 0.39
UTS2R Q9UKP6 1/20 0.37
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HTR1B P28222 2/20 0.36
HTR1D P28221 1/20 0.36
ELANE P08246 1/20 0.36
AGTR1 P30556 2/20 0.35
AGTR2 P50052 2/20 0.35
P2RX7 Q99572 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34

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
SCHEMBL2024570 0.86 LMNA (0.48) LMNAMAPTKDM4EALDH1A1HTT
SCHEMBL2016277 0.73 CRHR1 (0.44) MAPTALDH1A1CRHR1AGTR1
SCHEMBL2020635 0.72 L3MBTL1 (0.37) LMNATSHRMAPTKDM4EALDH1A1
SCHEMBL2017529 0.70 CRHR1 (0.42) LMNATSHRMAPTKDM4EALDH1A1
SCHEMBL2020171 0.66 CRHR1 (0.45) LMNATSHRMAPTKDM4EALDH1A1
SCHEMBL2999658 0.66 KDM4E (0.58) LMNATSHRMAPTKDM4EALDH1A1
SCHEMBL2015379 0.66 CRHR1 (0.60) MAPTCRHR1
SCHEMBL12853981 0.65 LMNA (0.68) LMNATSHRMAPTKDM4EALDH1A1
SCHEMBL1282008 0.65 CCR1 (0.75) LMNATSHRMAPTKDM4EHTT
SCHEMBL30184687 0.65 CCR1 (0.75) LMNATSHRMAPTKDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338591-B2 3-aryl-5,6-disubstituted pyridazines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-12-25 US claimed
US-8338591-B2 3-aryl-5,6-disubstituted pyridazines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-12-25 US disclosed
US-20110160187-A1 3-aryl-5,6-disubstituted pyridazines NEUROGEN CORPORATION (US) 2011-06-30 US disclosed
US-20110160187-A1 3-aryl-5,6-disubstituted pyridazines NEUROGEN CORPORATION (US) 2011-06-30 US disclosed
US-20110160187-A1 3-aryl-5,6-disubstituted pyridazines NEUROGEN CORPORATION (US) 2011-06-30 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 (1 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-20110160187-A1 3-aryl-5,6-disubstituted pyridazines MMP25, MMP9, MMP3 LMNA 1884/4885TSHR 3648/4885MAPT 3362/4885

“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.