SCHEMBL2019595

SCHEMBL2019595

Cc1cc(O)ccc1-c1nnc(N(C)C2CCc3ccccc32)c2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
ESR2 Q92731 2/20 0.34
ESR1 P03372 2/20 0.34
SPR P35270 1/20 0.33
RAB9A P51151 1/20 0.32
HTR2A P28223 1/20 0.31
PER2 O15055 1/20 0.31
CRY1 Q16526 1/20 0.31
CRY2 Q49AN0 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
SCHEMBL2017025 0.94 RAB9A (0.39) ESR2ESR1SPRRAB9APER2
SCHEMBL2019380 0.93 RAB9A (0.36) MAOAMAOBESR2ESR1SPR
SCHEMBL2024607 0.81 MAOA (0.38) MAOAMAOBSPRPER2CRY1
SCHEMBL2021567 0.80 TYR (0.42) ESR2ESR1
SCHEMBL2014674 0.78 CRHR1 (0.40) MAOBHTR2A
SCHEMBL2019391 0.75 ALDH1A1 (0.38) MAOAMAOBSPRRAB9APER2
SCHEMBL12574543 0.74 ALDH1A1 (0.40) MAOAMAOBRAB9APER2CRY1
SCHEMBL2022299 0.74 ALDH1A1 (0.40) MAOAMAOBRAB9APER2CRY1
SCHEMBL2020824 0.74 ALDH1A1 (0.35) MAOAMAOBSPRRAB9APER2
SCHEMBL12574572 0.71 SMO (0.38) MAOAMAOBESR2ESR1

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 MAOA 967/4885MAOB 793/4885ESR2 3021/4885

“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.