SCHEMBL4241192

SCHEMBL4241192

FC(F)(F)c1ccccc1Nc1nnc2n1CC[N]C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
MEN1 O00255 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
EPHX2 P34913 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
P2RX7 Q99572 2/20 0.35
TEAD1 P28347 1/20 0.35
TEAD4 Q15561 1/20 0.35
TEAD2 Q15562 1/20 0.35
TP53 P04637 2/20 0.35
SCD O00767 1/20 0.35
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 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
SCHEMBL395435 0.66 ALDH1A1 (0.64) KMT2AALDH1A1TDP1MEN1NPSR1
SCHEMBL1248292 0.66 DPP4 (0.35) KMT2AALDH1A1TDP1MEN1HTT
SCHEMBL20817876 0.66 KMT2A (0.40) KMT2AALDH1A1TDP1MEN1NPSR1
SCHEMBL1921414 0.65 ALDH1A1 (0.61) KMT2AALDH1A1TDP1MEN1NPSR1
SCHEMBL22543121 0.63 ALDH1A1 (0.58) KMT2AALDH1A1TDP1MEN1NPSR1
SCHEMBL30754739 0.63 ALDH1A1 (0.58) KMT2AALDH1A1TDP1MEN1NPSR1
SCHEMBL14422711 0.62 KDM4E (0.48) KMT2AALDH1A1TDP1MEN1NPSR1
SCHEMBL14422721 0.62 LRRK2 (0.45) KMT2AALDH1A1TDP1MEN1NPSR1
SCHEMBL5427163 0.62 MEN1 (0.74) KMT2AMEN1GAAMAPTPOLB
SCHEMBL1921413 0.61 ALDH1A1 (0.57) KMT2AALDH1A1TDP1MEN1NPSR1

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-8188084-B2 Pyridinone and pyridazinone derivatives as inhibitors of poly (ADP-ribose) polymerase (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA. (IT) 2012-05-29 US disclosed
US-20090176765-A1 Pyridinone and Pyridazinone Derivatives as Inhibitors of Poly (Adp-Ribose) Polymerase (Parp) MSD ITALIA S.R.L. (IT) 2009-07-09 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-20090176765-A1 Pyridinone and Pyridazinone Derivatives as Inhibitors of Poly (Adp-Ribose) Polymerase (Parp) PARP1, PARP2, PARP3 KMT2A 3801/4885ALDH1A1 278/4885TDP1 102/4885

“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.