SCHEMBL92770

SCHEMBL92770

CCCCCNc1c2ccccc2nc2[nH]ncc12

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 9/20 0.59
CACNA2D1 P54289 1/20 0.53
ELANE P08246 3/20 0.50
POLB P06746 3/20 0.50
RAD52 P43351 3/20 0.50
TOP2A P11388 3/20 0.50
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
APOBEC3A P31941 1/20 0.50
KMT2A Q03164 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50
KDM4E B2RXH2 1/20 0.46
MITF O75030 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
TTR P02766 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 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
SCHEMBL559637 0.84 SLC2A1 (0.72) SLC2A1CACNA2D1ELANEPOLBRAD52
SCHEMBL9415866 0.83 SLC2A1 (0.75) SLC2A1CACNA2D1ELANEPOLBRAD52
Hydrochloric Acid SCHEMBL8651166 0.82 SLC2A1 (0.78) SLC2A1CACNA2D1ELANEPOLBRAD52
SCHEMBL9748474 0.80 POLB (0.70) SLC2A1CACNA2D1ELANEPOLBRAD52
SCHEMBL5578493 0.76 POLB (0.79) SLC2A1CACNA2D1POLBRAD52RAB9A
SCHEMBL6033155 0.75 POLB (0.77) SLC2A1CACNA2D1POLBRAD52RAB9A
SCHEMBL13856923 0.75 POLB (0.77) SLC2A1CACNA2D1POLBRAD52RAB9A
SCHEMBL28158394 0.73 POLB (0.68) SLC2A1CACNA2D1POLBRAD52TOP2A
SCHEMBL7869214 0.73 POLB (0.79) SLC2A1CACNA2D1POLBRAD52TOP2A
SCHEMBL5478992 0.73 KDM1A (0.66) POLBRAD52TOP2AKMT2AKDM4E

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
WO-2006041900-A9 SUBSTITUTED N-ARYL-1H-PYRAZOLO[3,4-b]QUINOLIN-4-AMINES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS CYTOVIA INC (US) 2008-12-31 WO disclosed
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
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
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
EP-1807426-A2 SUBSTITUTED N-ARYL-1H-PYRAZOLOÝ3,4-b¨QUINOLIN-4-AMINES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS Cytovia, Inc. (US) 2007-07-18 EP disclosed
WO-2006041900-A3 SUBSTITUTED N-ARYL-1H-PYRAZOLO[3,4-b]QUINOLIN-4-AMINES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS CYTOVIA INC (US) 2006-07-13 WO disclosed
WO-2006041900-A2 SUBSTITUTED N-ARYL-1H-PYRAZOLO[3,4-b]QUINOLIN-4-AMINES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS CYTOVIA, INC. (US) 2006-04-20 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 (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 SLC2A1 4439/4885CACNA2D1 2933/4885ELANE 1549/4885

“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.