SCHEMBL20108747

SCHEMBL20108747

CCOC(=O)C(C)(C)N1CCN(c2nnc(-c3ccc(Cl)cc3)c3ccccc23)CC1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.61
MEN1 O00255 9/20 0.61
POLB P06746 1/20 0.61
ADRB2 P07550 1/20 0.61
SMO Q99835 4/20 0.57
KDR P35968 3/20 0.54
NPSR1 Q6W5P4 5/20 0.50
MAPT P10636 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
ALDH1A1 P00352 3/20 0.50
LMNA P02545 2/20 0.50
HTT P42858 2/20 0.49
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL20109683 0.85 SMO (0.67) KMT2AMEN1POLBADRB2SMO
SCHEMBL20109654 0.82 KDR (0.66) KMT2AMEN1POLBADRB2SMO
SCHEMBL20108746 0.81 KMT2A (0.61) KMT2AMEN1POLBADRB2SMO
SCHEMBL21221762 0.78 SMO (0.66) KMT2AMEN1POLBADRB2SMO
SCHEMBL20108803 0.77 SMO (0.67) KMT2AMEN1POLBADRB2SMO
SCHEMBL20108760 0.76 SMO (0.70) KMT2AMEN1POLBADRB2SMO
Hydrochloric Acid SCHEMBL21221771 0.76 SMO (0.66) KMT2AMEN1POLBADRB2SMO
Hydrochloric Acid SCHEMBL21221697 0.75 SMO (0.69) KMT2AMEN1POLBADRB2SMO
SCHEMBL20109369 0.75 KDR (0.78) KMT2ASMOKDRSMN1; SMN2ALDH1A1
SCHEMBL20108763 0.75 KMT2A (1.00) KMT2AMEN1POLBSMOKDR

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 3 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 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 804/4885MEN1 1004/4885POLB 4153/4885
US-10947241-B2 Phenyl phthalazine derivative, method for the preparation thereof, and pharmaceutical composition comprising the same PAH, HDAC5, SLC5A1 KMT2A 804/4885MEN1 1004/4885POLB 4153/4885

“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.