SCHEMBL5478992

SCHEMBL5478992

c1ccc(Nc2c3ccccc3nc3[nH]ncc23)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 12/20 0.66
KMT2A Q03164 5/20 0.54
RAD52 P43351 4/20 0.54
POLB P06746 3/20 0.49
GFER P55789 2/20 0.49
MEN1 O00255 2/20 0.49
MAPK1 P28482 2/20 0.49
ATM Q13315 1/20 0.48
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
GLA P06280 1/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MITF O75030 1/20 0.47
LMNA P02545 1/20 0.47
RECQL P46063 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TOP2A P11388 1/20 0.46

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
SCHEMBL902770 0.80 KDM1A (1.00) KDM1AKMT2ARAD52POLBGFER
Hydrochloric Acid SCHEMBL15673452 0.79 KDM1A (0.96) KDM1AKMT2ARAD52POLBGFER
SCHEMBL17154420 0.76 TGFBR1 (0.57) KDM1AKMT2ARAD52POLBGFER
SCHEMBL5470319 0.75 ALDH1A1 (0.59) KMT2ARAD52POLBMAPK1KDM4E
SCHEMBL9006299 0.75 MAOA (0.59) KMT2AMEN1MAPK1KDM4EMAPT
SCHEMBL92770 0.73 SLC2A1 (0.59) KMT2ARAD52POLBKDM4EGLA
SCHEMBL11817630 0.71 NPC1 (0.45) KMT2APOLBMEN1MAPK1MAPT
SCHEMBL23630584 0.70 KDM1A (0.78) KDM1AKMT2ARAD52POLBGFER
SCHEMBL10061504 0.70 RAD52 (1.00) KDM1AKMT2ARAD52POLBGFER
SCHEMBL13896217 0.70 MAPK1 (0.59) KMT2AMEN1MAPK1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070253957-A1 Substituted N-Aryl-1H-Pyrazolo[3,4-B]Quinolin-4-Amines and Analogs as Activators of Caspases and Inducers of Apoptosis CYTOVIA, INC. (US) 2007-11-01 US 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 (1 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-20070253957-A1 Substituted N-Aryl-1H-Pyrazolo[3,4-B]Quinolin-4-Amines and Analogs as Activators of Caspases and Inducers of Apoptosis CASP3, CASP7, CASP4 KDM1A 1240/4885KMT2A 2718/4885RAD52 2934/4885

“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.