SCHEMBL2022253

SCHEMBL2022253

CCCC1c2ccccc2CCN1c1nnc(-c2ccccc2C(F)(F)F)c2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.35
CYP3A4 P08684 4/20 0.35
CYP2D6 P10635 4/20 0.35
MAPK1 P28482 2/20 0.35
SMO Q99835 2/20 0.33
HSD11B1 P28845 4/20 0.32
HSD11B2 P80365 1/20 0.32
CYP2C19 P33261 3/20 0.32
NPSR1 Q6W5P4 2/20 0.32
GAA P10253 1/20 0.32
USP2 O75604 2/20 0.31
ALDH1A1 P00352 2/20 0.31
TSHR P16473 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
HIF1A Q16665 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
ALOX15 P16050 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31

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
SCHEMBL2026559 0.87 SMO (0.36) SMONPSR1GAAMEN1KMT2A
SCHEMBL2022226 0.85 SMO (0.42) SMONPSR1GAAALDH1A1TSHR
SCHEMBL2016886 0.80 PRMT5 (0.35) MAPK1SMONPSR1ALDH1A1TSHR
SCHEMBL2024183 0.79 DRD2 (0.36) MAPK1SMONPSR1ALDH1A1MEN1
SCHEMBL2017286 0.78 MEN1 (0.36) MAPK1SMONPSR1GAAALDH1A1
SCHEMBL2021174 0.77 ALDH1A1 (0.36) CYP3A4SMOGAAUSP2ALDH1A1
SCHEMBL2016584 0.71 DRD2 (0.37) MAPK1SMONPSR1ALDH1A1MEN1
SCHEMBL2021655 0.70 MEN1 (0.37) MAPK1SMONPSR1GAAALDH1A1
SCHEMBL12574588 0.63 KMT2A (0.39) MAPK1SMONPSR1GAAALDH1A1
SCHEMBL12574572 0.63 SMO (0.38) MAPK1SMONPSR1ALDH1A1MEN1

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 CYP1A2 157/4885CYP3A4 358/4885CYP2D6 130/4885

“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.