SCHEMBL20109401

SCHEMBL20109401

CN[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)c3ccccc23)C1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.58
SMO Q99835 3/20 0.53
NPSR1 Q6W5P4 6/20 0.51
MAPK1 P28482 2/20 0.51
TP53 P04637 1/20 0.48
MEN1 O00255 5/20 0.48
HTT P42858 3/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 2/20 0.48
PKM P14618 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 3/20 0.46
DOT1L Q8TEK3 1/20 0.45
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 1/20 0.44
KDR P35968 2/20 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
SCHEMBL20109399 1.00 KMT2A (0.58) KMT2ASMONPSR1MAPK1TP53
Hydrochloric Acid SCHEMBL21221719 0.99 KMT2A (0.57) KMT2ASMONPSR1MAPK1TP53
Hydrochloric Acid SCHEMBL21221718 0.99 KMT2A (0.57) KMT2ASMONPSR1MAPK1TP53
SCHEMBL20109685 0.93 KMT2A (0.60) KMT2ASMONPSR1MAPK1MEN1
SCHEMBL20108770 0.84 HRH4 (0.52) KMT2ASMONPSR1MAPK1MEN1
SCHEMBL20108972 0.84 HRH4 (0.52) KMT2ASMONPSR1MAPK1MEN1
Hydrochloric Acid SCHEMBL21221830 0.83 HRH4 (0.51) KMT2ASMONPSR1MAPK1MEN1
Hydrochloric Acid SCHEMBL21221881 0.83 HRH4 (0.51) KMT2ASMONPSR1MAPK1MEN1
SCHEMBL20108815 0.81 KMT2A (0.57) KMT2ASMONPSR1MAPK1MEN1
SCHEMBL20108971 0.81 HRH4 (0.46) KMT2ASMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 804/4885SMO 767/4885NPSR1 1730/4885
US-10947241-B2 Phenyl phthalazine derivative, method for the preparation thereof, and pharmaceutical composition comprising the same PAH, HDAC5, SLC5A1 KMT2A 804/4885SMO 767/4885NPSR1 1730/4885

“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.