SCHEMBL2019377

SCHEMBL2019377

CC(c1ccccc1)N(C)c1nnc(-c2cccc3ccccc23)c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
KDR P35968 5/20 0.40
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 1/20 0.36
ALOX5 P09917 1/20 0.35
NUDT1 P36639 1/20 0.34
EGFR P00533 1/20 0.34
CSF1R P07333 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
GPR35 Q9HC97 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SLC6A2 P23975 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
SCHEMBL2020635 0.86 L3MBTL1 (0.37) MAPK11MAPK14KDRALDH1A1MAPT
SCHEMBL2020198 0.85 TSHR (0.39) KDRALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL2017361 0.84 SMO (0.38) ALDH1A1MAPT
SCHEMBL2047017 0.84 GBA1 (0.38) MAPTNUDT1EGFRCSF1RNPC1
SCHEMBL2053954 0.81 CYP1A2 (0.43) ALDH1A1AKR1C3AKR1C2CNR2
SCHEMBL2020919 0.80 EGFR (0.39) ALOX5NUDT1EGFRCSF1RRPS6KB1
SCHEMBL2019914 0.77 ESR2 (0.40) KDRALDH1A1MAPTEGFRCSF1R
SCHEMBL2021107 0.77 ESR2 (0.40) KDRALDH1A1MAPTEGFRCSF1R
SCHEMBL2020839 0.77 ESR2 (0.40) KDRALDH1A1MAPTEGFRCSF1R
SCHEMBL2016507 0.75 EGFR (0.38) NUDT1EGFRCSF1RSLC6A2SLC6A4

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 6 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-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 MAPK11 897/4885MAPK14 1013/4885KDR 875/4885

“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.