SCHEMBL2014674

SCHEMBL2014674

COc1ccc(-c2nnc(N(C)C3CCc4ccccc43)c3ccccc23)c(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.40
KMT2A Q03164 1/20 0.38
PDE4A P27815 3/20 0.37
PDE4B Q07343 3/20 0.37
PDE4C Q08493 3/20 0.37
PDE4D Q08499 3/20 0.37
ATM Q13315 1/20 0.37
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
PTPN1 P18031 1/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2E1 P05181 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2A6 P11509 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP4B1 P13584 1/20 0.36
CYP2B6 P20813 1/20 0.36

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
SCHEMBL2019595 0.78 MAOA (0.35) HTR2AMAOB
SCHEMBL2024607 0.75 MAOA (0.38) CRHR1PDE4APDE4BPDE4CPDE4D
SCHEMBL2017025 0.72 RAB9A (0.39) KMT2AATMTSHR
SCHEMBL2019380 0.72 RAB9A (0.36) MAOB
SCHEMBL2020407 0.71 CRHR1 (0.43) CRHR1KMT2AATMPTPN1CYP1A1
SCHEMBL12574499 0.71 CRHR1 (0.43) CRHR1KMT2AATMPTPN1CYP1A1
SCHEMBL2020683 0.70 NPSR1 (0.41) CRHR1KMT2ADRD1DRD2DRD3
SCHEMBL2018297 0.69 CRHR1 (0.42) CRHR1KMT2AATMPTPN1CYP1A1
SCHEMBL2022299 0.69 ALDH1A1 (0.40) KMT2AMAOB
SCHEMBL12574543 0.69 ALDH1A1 (0.40) KMT2AMAOB

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 CRHR1 2714/4885KMT2A 2091/4885PDE4A 716/4885

“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.