SCHEMBL20109603

SCHEMBL20109603

CN1CCCN(c2nnc(-c3ccccc3)c3ccccc23)CC1

nearest known ligand 0.89

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.71
NPSR1 Q6W5P4 6/20 0.62
HTT P42858 3/20 0.62
MAPK1 P28482 1/20 0.62
SMO Q99835 2/20 0.61
ALDH1A1 P00352 5/20 0.61
MEN1 O00255 6/20 0.59
MAPT P10636 3/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
LMNA P02545 1/20 0.59
PKM P14618 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
GAA P10253 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
HRH4 Q9H3N8 1/20 0.54

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
SCHEMBL20108763 0.83 KMT2A (1.00) KMT2ANPSR1HTTMAPK1SMO
SCHEMBL17207511 0.78 KMT2A (0.73) KMT2ANPSR1HTTMAPK1SMO
SCHEMBL20108800 0.76 MEN1 (0.81) KMT2ANPSR1HTTSMOALDH1A1
SCHEMBL2278171 0.76 ALDH1A1 (0.68) KMT2ANPSR1HTTMAPK1SMO
SCHEMBL13977440 0.74 NPSR1 (1.00) KMT2ANPSR1HTTMAPK1SMO
SCHEMBL1267673 0.74 NPSR1 (0.74) KMT2ANPSR1HTTMAPK1SMO
SCHEMBL2023384 0.74 KMT2A (0.74) KMT2ANPSR1HTTMAPK1SMO
SCHEMBL1268195 0.74 NPSR1 (0.74) KMT2ANPSR1HTTMAPK1SMO
SCHEMBL1267013 0.73 NPSR1 (0.72) KMT2ANPSR1HTTMAPK1SMO
SCHEMBL9961626 0.72 HRH4 (0.62) NPSR1HTTALDH1A1MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190241574-A1 PHENYL PHTHALAZINE DERIVATIVE, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SEOUL NATIONAL UNIVERSITY HOSPITAL (KR) 2019-08-08 US claimed
US-10947241-B2 Phenyl phthalazine derivative, method for the preparation thereof, and pharmaceutical composition comprising the same SEOUL NATIONAL UNIVERSITY HOSPITAL (KR) 2021-03-16 US disclosed
US-10947241-B2 Phenyl phthalazine derivative, method for the preparation thereof, and pharmaceutical composition comprising the same SEOUL NATIONAL UNIVERSITY HOSPITAL (KR) 2021-03-16 US disclosed
US-20190241574-A1 PHENYL PHTHALAZINE DERIVATIVE, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SEOUL NATIONAL UNIVERSITY HOSPITAL (KR) 2019-08-08 US disclosed
US-20190241574-A1 PHENYL PHTHALAZINE DERIVATIVE, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SEOUL NATIONAL UNIVERSITY HOSPITAL (KR) 2019-08-08 US disclosed
WO-2018080216-A1 PHENYL PHTHALAZINE DERIVATIVE, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2018-05-03 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 (2 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-20190241574-A1 PHENYL PHTHALAZINE DERIVATIVE, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME PAH, HDAC5, SLC5A1 KMT2A 804/4885NPSR1 1730/4885HTT 162/4885
US-10947241-B2 Phenyl phthalazine derivative, method for the preparation thereof, and pharmaceutical composition comprising the same PAH, HDAC5, SLC5A1 KMT2A 804/4885NPSR1 1730/4885HTT 162/4885

“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.