SCHEMBL255139

SCHEMBL255139

Cc1cc2n(n1)CCCOC2

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LRRK2 Q5S007 1/20 0.32
MPO P05164 2/20 0.31
KMT2A Q03164 1/20 0.31
TP53 P04637 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NCF1 P14598 1/20 0.30
CRHBP P24387 1/20 0.30
CRHR2 Q13324 1/20 0.30

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
SCHEMBL254839 0.89 LRRK2 (0.39) ALDH1A1HTTSMN1; SMN2LRRK2KMT2A
SCHEMBL15293674 0.79 LRRK2 (0.31) LRRK2
SCHEMBL2667272 0.75 PDE10A (0.42)
SCHEMBL15046539 0.72 MPO (0.39) ALDH1A1HTTSMN1; SMN2MPOTP53
SCHEMBL25227540 0.72 TSHR (0.43) ALDH1A1HTTSMN1; SMN2KMT2ATP53
SCHEMBL21626282 0.69 DRD2 (0.34) MPO
SCHEMBL16335331 0.68 LRRK2 (0.38) ALDH1A1HTTSMN1; SMN2LRRK2
SCHEMBL22290756 0.68 LRRK2 (0.38) LRRK2
SCHEMBL1392881 0.68 LRRK2 (0.38) LRRK2NCF1CRHBPCRHR2
SCHEMBL14981438 0.68 LRRK2 (0.36) ALDH1A1HTTSMN1; SMN2LRRK2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611798-B1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF GILEAD CONNECTICUT INC (US) 2015-04-08 EP disclosed
US-8975260-B2 Pyridazinones, method of making, and method of use thereof GENETECH, INC (US) 2015-03-10 US disclosed
US-20130261103-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF GENENTECH, INC. (US) 2013-10-03 US disclosed
WO-2012030990-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF GILEAD CONNECTICUT, INC. (US) 2012-03-08 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-20130261103-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF BTK, TYK2, LCK ALDH1A1 4049/4885HTT 4792/4885SMN1; SMN2 3644/4885

“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.