SCHEMBL1357945

SCHEMBL1357945

O=c1ccc2cnncc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 9/20 0.59
PDE3A Q14432 9/20 0.59
CA12 O43570 5/20 0.50
CA9 Q16790 5/20 0.50
CA1 P00915 1/20 0.50
CA3 P07451 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
CA13 Q8N1Q1 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
MAPK1 P28482 3/20 0.47
F11 P03951 1/20 0.44
AR P10275 1/20 0.35

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
SCHEMBL35211851 1.00 PDE3B (0.59) PDE3BPDE3ACA12CA9CA1
SCHEMBL29902532 0.74 PDE3B (1.00) PDE3BPDE3ACA12CA9CA1
SCHEMBL3385284 0.74 PDE3B (0.71) PDE3BPDE3ACA12CA9CA1
SCHEMBL30154352 0.74 PDE3B (0.71) PDE3BPDE3ACA12CA9CA1
SCHEMBL5366546 0.71 PDE3B (0.52) PDE3BPDE3ACA12CA9CA1
SCHEMBL29163284 0.71 PDE3B (0.52) PDE3BPDE3ACA12CA9CA1
SCHEMBL14494403 0.70 CA12 (0.55) PDE3BPDE3ACA12CA9CA1
SCHEMBL5365199 0.70 PDE3B (0.50) PDE3BPDE3ACA12CA9CA1
SCHEMBL14494413 0.70 PDE3B (0.50) PDE3BPDE3ACA12CA9CA1
SCHEMBL15507389 0.70 PDE3B (0.50) PDE3BPDE3ACA12CA9CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420649-B2 Pyrido[3,2-d]pyridazine-2(1H)-one compounds as p38 modulators and methods of use thereof AMGEN INC. (US) 2013-04-16 US disclosed
US-20110281864-A1 Pyrido[3,2-d]Pyridazine-2(1H)-One Compounds as p38 Modulators and Methods of Use Thereof AMGEN INC. (US) 2011-11-17 US disclosed
US-4996204-A Antidiabetic agents PFIZER INC. (US) 1991-02-26 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-20110281864-A1 Pyrido[3,2-d]Pyridazine-2(1H)-One Compounds as p38 Modulators and Methods of Use Thereof MAPK1, MAPK3, MAP4K2 PDE3B 562/4885PDE3A 558/4885CA12 4858/4885

“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.