SCHEMBL2021464

SCHEMBL2021464

COc1cccc(CN(C)c2nnc(-c3c(C)cccc3C)c3ccccc23)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
GBA1 P04062 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CSF1R P07333 3/20 0.47
CALM1 P0DP23 1/20 0.43
CAMKK2 Q96RR4 1/20 0.43
KMT2A Q03164 3/20 0.42
EGFR P00533 1/20 0.41
AOC3 Q16853 1/20 0.41
MEN1 O00255 2/20 0.40
GAA P10253 1/20 0.39
TAAR1 Q96RJ0 3/20 0.39
IDO1 P14902 2/20 0.39
AGXT P21549 2/20 0.39
TSPO P30536 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
SCHEMBL2019715 0.93 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1KDM4ELMNAGBA1
SCHEMBL2016891 0.89 DHFR (0.39) SMN1; SMN2ALDH1A1KDM4ELMNAGBA1
SCHEMBL2017558 0.81 CSF1R (0.43) ALDH1A1LMNACSF1RKMT2AEGFR
SCHEMBL2016765 0.78 GABRA1 (0.46) SMN1; SMN2ALDH1A1KDM4ELMNAMAPT
SCHEMBL2018694 0.77 TRPM8 (0.38) LMNAL3MBTL1KMT2AAOC3MEN1
SCHEMBL2016512 0.76 GBA1 (0.48) SMN1; SMN2ALDH1A1GBA1HPGDL3MBTL1
SCHEMBL2020985 0.75 CSF1R (0.43) SMN1; SMN2KDM4ELMNACSF1RKMT2A
SCHEMBL20850637 0.74 CALM1 (0.52) SMN1; SMN2ALDH1A1KDM4ELMNAGBA1
SCHEMBL2019830 0.73 CSF1R (0.40) CSF1RKMT2AEGFRMEN1
SCHEMBL2022779 0.72 SCN8A (0.35) ALDH1A1KDM4ECSF1REGFRGAA

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 SMN1; SMN2 3380/4885ALDH1A1 403/4885KDM4E 1444/4885

“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.