SCHEMBL20108810

SCHEMBL20108810

COC1CCN(c2nnc(-c3ccc(Cl)cc3)c3ccccc23)CC1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.67
NPSR1 Q6W5P4 8/20 0.61
HTT P42858 4/20 0.59
MEN1 O00255 7/20 0.58
MAPK1 P28482 3/20 0.58
MAPT P10636 3/20 0.58
LMNA P02545 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.55
PKM P14618 2/20 0.55
SMO Q99835 3/20 0.55
ALDH1A1 P00352 3/20 0.52
KDR P35968 1/20 0.49
TSHR P16473 1/20 0.48

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
SCHEMBL20109380 0.87 KMT2A (0.62) KMT2ANPSR1HTTMEN1MAPK1
SCHEMBL21239325 0.83 KMT2A (0.58) KMT2ANPSR1HTTMEN1MAPK1
SCHEMBL20109613 0.82 SMO (0.57) KMT2ANPSR1HTTMEN1MAPK1
SCHEMBL20108763 0.80 KMT2A (1.00) KMT2ANPSR1HTTMEN1MAPK1
SCHEMBL20109511 0.80 KMT2A (0.63) KMT2ANPSR1HTTMEN1MAPK1
SCHEMBL2023384 0.80 KMT2A (0.74) KMT2ANPSR1HTTMEN1MAPK1
SCHEMBL20108811 0.79 KMT2A (0.41) KMT2ANPSR1HTTMEN1MAPK1
SCHEMBL20109305 0.78 KMT2A (0.60) KMT2ANPSR1HTTMEN1MAPK1
SCHEMBL20109685 0.78 KMT2A (0.60) KMT2ANPSR1HTTMEN1MAPK1
SCHEMBL21221773 0.78 KMT2A (0.71) KMT2ANPSR1HTTMEN1MAPK1

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 8 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
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 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
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.