SCHEMBL18399346

SCHEMBL18399346

Cc1cccc(-n2ccc(=O)c(C3=NNNN3c3ccccc3)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
HTT P42858 2/20 0.48
ALDH1A1 P00352 2/20 0.43
CYP3A4 P08684 3/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP1A2 P05177 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
POLB P06746 2/20 0.39
PDE10A Q9Y233 1/20 0.38
ADORA3 P0DMS8 2/20 0.38
ADORA1 P30542 1/20 0.38
GAA P10253 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL7791227 0.84 ALDH1A1 (0.65) KMT2AMEN1HTTALDH1A1CYP3A4
SCHEMBL10258173 0.78 HTT (0.77) KMT2AMEN1HTTALDH1A1CYP3A4
SCHEMBL10258824 0.73 MEN1 (0.55) KMT2AMEN1HTTALDH1A1CYP3A4
SCHEMBL10258804 0.73 MEN1 (0.55) KMT2AMEN1HTTALDH1A1CYP3A4
SCHEMBL10259019 0.72 MEN1 (0.54) KMT2AMEN1HTTALDH1A1CYP3A4
SCHEMBL519467 0.72 PDE10A (0.68) KMT2AMEN1HTTALDH1A1CYP3A4
SCHEMBL10258768 0.72 MEN1 (0.54) KMT2AMEN1HTTALDH1A1CYP3A4
SCHEMBL10258673 0.71 KMT2A (0.53) KMT2AMEN1HTTALDH1A1CYP3A4
SCHEMBL10258709 0.69 PDE10A (0.61) KMT2AMEN1HTTALDH1A1CA12
SCHEMBL15868812 0.67 KMT2A (0.60) KMT2AMEN1HTTALDH1A1CA12

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-20170114044-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS TAKEDA PHARMACEUTICALS CO (JP) 2017-04-27 US disclosed
US-9550756-B2 Pyridazinone compounds as phosphodiesterase inhibitors and methods of treating disorders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-01-24 US disclosed
US-9550756-B2 Pyridazinone compounds as phosphodiesterase inhibitors and methods of treating disorders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-01-24 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-20170114044-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS PDE3A, PDE5A, PDE3B KMT2A 1887/4885MEN1 3239/4885HTT 3917/4885

“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.