SCHEMBL18399508

SCHEMBL18399508

COc1cn(-c2cc(C)ccc2F)nc(C(C)=O)c1=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
PDE10A Q9Y233 2/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
RXRA P19793 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
P2RX7 Q99572 7/20 0.36
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 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
SCHEMBL18399541 0.91 KMT2A (0.43) KMT2AMEN1PDE10APOLBTDP1
SCHEMBL16627464 0.91 MEN1 (0.41) KMT2AMEN1PDE10APOLBTDP1
SCHEMBL18399502 0.89 KMT2A (0.43) KMT2AMEN1PDE10APOLBTDP1
SCHEMBL518839 0.87 PDE10A (0.39) KMT2AMEN1PDE10APOLBTDP1
SCHEMBL18399516 0.85 MEN1 (0.38) KMT2AMEN1PDE10APOLBTDP1
SCHEMBL519478 0.84 PDE10A (0.54) KMT2AMEN1PDE10ARAB9ANPC1
SCHEMBL518417 0.81 L3MBTL1 (0.36) KMT2AMEN1PDE10ARAB9ANPC1
SCHEMBL8372089 0.81 PDE10A (0.39) KMT2AMEN1PDE10ARAB9ANPC1
SCHEMBL518681 0.81 BRD4 (0.41) PDE10A
SCHEMBL16627462 0.80 KMT2A (0.43) KMT2AMEN1PDE10APOLBTDP1

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 2 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

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 3239/4885PDE10A 11/4885

“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.