SCHEMBL796937

SCHEMBL796937

CC(C)Cc1c[c]nc(C(C)C)n1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 1/20 0.34
▸ NOS1 P29475 1/20 0.34
▸ NOS2 P35228 1/20 0.34
▸ ESR1 P03372 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
SCHEMBL797774 0.82 — —
SCHEMBL7955998 0.81 — —
SCHEMBL12503848 0.78 NOS3 (0.35) NOS3NOS1NOS2ESR1
SCHEMBL791035 0.78 NOS3 (0.39) NOS3NOS1NOS2ESR1
SCHEMBL797033 0.78 MEN1 (0.31) —
SCHEMBL797006 0.77 MEN1 (0.31) —
SCHEMBL796981 0.75 — —
SCHEMBL796812 0.74 — —
SCHEMBL789703 0.73 NOS3 (0.35) NOS3NOS1NOS2
SCHEMBL797539 0.73 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2550264-B1 PYRIDAZINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2016-06-08 — — EP disclosed
US-9040537-B2 Pyridazine compounds for controlling invertebrate pests BASF SE (DE) 2015-05-26 — — US disclosed
EP-2615917-A2 PYRIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS III BASF SE (DE) 2013-07-24 — — EP disclosed
US-20130180014-A1 Pyridine Compounds for Controlling Invertebrate Pests III BASF SE (DE) 2013-07-11 — — US disclosed
EP-2550264-A1 PYRIDAZINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2013-01-30 — — EP disclosed
US-20130012380-A1 Pyridazine Compounds For Controlling Invertebrate Pests BASF SE (DE) 2013-01-10 — — US disclosed
WO-2012034959-A2 PYRIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS III BASF SE (DE) 2012-03-22 — — WO disclosed
WO-2011117286-A1 PYRIDAZINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2011-09-29 — — 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 (2 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-20130012380-A1 Pyridazine Compounds For Controlling Invertebrate Pests GRIN2C, GRIN2A, NR2C2 NOS3 676/4885NOS1 1385/4885NOS2 933/4885
US-20130180014-A1 Pyridine Compounds for Controlling Invertebrate Pests III CHRM1, CHRM2, GRIN2C NOS3 342/4885NOS1 1141/4885NOS2 819/4885

“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.

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