SCHEMBL2478699

SCHEMBL2478699

COc1ccc(-c2csc(NN)n2)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 4/20 0.52
CYP1A1 P04798 3/20 0.49
KMT2A Q03164 7/20 0.48
MEN1 O00255 6/20 0.48
MAPT P10636 5/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
CSNK2A1 P68400 1/20 0.46
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44
TUBB8 Q3ZCM7 1/20 0.44

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
SCHEMBL21484609 0.83 MPL (0.58) CYP1B1CYP1A1KMT2AMEN1MAPT
SCHEMBL30294204 0.81 MAOA (0.60) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL21516879 0.79 MAPT (0.61) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL2073314 0.78 AMY1A (0.46) CYP1B1CYP1A1KMT2AMEN1MAPT
SCHEMBL17072700 0.78 KMT2A (0.66) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL22509335 0.78 KMT2A (0.58) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL25328822 0.77 PTGS2 (0.70) CYP1B1CYP1A1KMT2AMEN1MAPT
SCHEMBL12301019 0.77 MEN1 (0.65) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL21484632 0.76 KMT2A (0.56) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL12301006 0.76 LMNA (0.66) KMT2AMEN1MAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2373641-B1 PYRIDAZINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-12-19 EP disclosed
US-8178538-B2 Pyridazinones HOFFMANN-LA ROCHE INC. (US) 2012-05-15 US disclosed
EP-2373641-A1 PYRIDAZINONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-10-12 EP disclosed
US-20100152193-A1 PYRIDAZINONES HOFFMANN-LA ROCHE, INC. 2010-06-17 US disclosed
WO-2010063610-A1 PYRIDAZINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-06-10 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-20100152193-A1 PYRIDAZINONES PDE5A, PDE3A, PDE10A CYP1B1 232/4885CYP1A1 440/4885KMT2A 2667/4885

“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.