SCHEMBL20109369

SCHEMBL20109369

O=C(O)CN1CCN(c2nnc(-c3ccc(Cl)cc3)c3ccccc23)CC1

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDR P35968 15/20 0.78
SMO Q99835 3/20 0.68
KMT2A Q03164 1/20 0.64
ALDH1A1 P00352 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58

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
SCHEMBL20109654 0.85 KDR (0.66) KDRSMOKMT2A
SCHEMBL20108806 0.81 KMT2A (0.70) KDRSMOKMT2AALDH1A1
SCHEMBL20108760 0.80 SMO (0.70) KDRSMOKMT2AALDH1A1SMN1; SMN2
SCHEMBL20109683 0.80 SMO (0.67) KDRSMOKMT2A
SCHEMBL20108794 0.80 KMT2A (0.62) KDRSMOKMT2AALDH1A1
SCHEMBL20109592 0.80 KMT2A (0.65) KDRSMOKMT2A
SCHEMBL20108771 0.79 SMO (0.66) KDRSMOKMT2AALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL21221697 0.79 SMO (0.69) KDRSMOKMT2AALDH1A1SMN1; SMN2
SCHEMBL21221837 0.79 SMO (0.68) KDRSMOKMT2AALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL21221743 0.79 SMO (0.64) KDRSMOKMT2AALDH1A1SMN1; SMN2

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 KDR 1710/4885SMO 767/4885KMT2A 804/4885
US-10947241-B2 Phenyl phthalazine derivative, method for the preparation thereof, and pharmaceutical composition comprising the same PAH, HDAC5, SLC5A1 KDR 1710/4885SMO 767/4885KMT2A 804/4885

“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.