SCHEMBL2894499

SCHEMBL2894499

CC(N)c1ccnnc1Cl

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
NFKB1 P19838 1/20 0.39
PNMT P11086 1/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
ADRB2 P07550 1/20 0.35
PDCD1LG2 Q9BQ51 3/20 0.31
CD274 Q9NZQ7 3/20 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
SCHEMBL24869040 0.83 GABRA1 (0.32) LMNACYP1A2CYP3A4
SCHEMBL30679386 0.83 GABRA1 (0.32) LMNACYP1A2CYP3A4
SCHEMBL27673817 0.76
SCHEMBL27692396 0.76
SCHEMBL10079968 0.75
SCHEMBL13029042 0.72 CD274 (0.42) CYP1A2CYP2D6ALDH1A1PDCD1LG2CD274
SCHEMBL1266671 0.71 CYP2D6 (0.48) LMNACYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL8505132 0.71 ADRA2A (0.37) LMNACYP1A2CYP3A4CYP2D6TP53
Hydrochloric Acid SCHEMBL2891433 0.71 CD274 (0.41) LMNACYP1A2CYP2D6ALDH1A1GLA
SCHEMBL27673765 0.70

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440666-B2 Pyridazinone compounds and P2X7 receptor inhibitors NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-05-14 US disclosed
US-8440666-B2 Pyridazinone compounds and P2X7 receptor inhibitors NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-05-14 US disclosed
US-8440666-B2 Pyridazinone compounds and P2X7 receptor inhibitors NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-05-14 US disclosed
US-20100286390-A1 PYRIDAZINONE COMPOUNDS AND P2X7 RECEPTOR INHIBITORS NISSAN CHEMICAL INDUSTRIES LIMITED 2010-11-11 US disclosed
US-20100286390-A1 PYRIDAZINONE COMPOUNDS AND P2X7 RECEPTOR INHIBITORS NISSAN CHEMICAL INDUSTRIES LIMITED 2010-11-11 US disclosed
US-20100286390-A1 PYRIDAZINONE COMPOUNDS AND P2X7 RECEPTOR INHIBITORS NISSAN CHEMICAL INDUSTRIES LIMITED 2010-11-11 US disclosed
EP-2203429-A1 PYRIDAZINONE DERIVATIVES AND USE THEREOF AS P2X7 RECEPTOR INHIBITORS Nissan Chemical Industries, Ltd. (JP) 2010-07-07 EP disclosed
WO-2009057827-A1 PYRIDAZINONE DERIVATIVES AND USE THEREOF AS P2X7 RECEPTOR INHIBITORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-05-07 WO disclosed
WO-2009057827-A1 PYRIDAZINONE DERIVATIVES AND USE THEREOF AS P2X7 RECEPTOR INHIBITORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-05-07 WO 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-20100286390-A1 PYRIDAZINONE COMPOUNDS AND P2X7 RECEPTOR INHIBITORS P2RY1, P2RX7, P2RX1 LMNA 1782/4885CYP1A2 635/4885CYP3A4 830/4885

“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.