SCHEMBL1897984

SCHEMBL1897984

Nc1[nH]nc2cnc3ccccc3c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
POLB P06746 1/20 0.43
NR4A1 P22736 1/20 0.43
KDM4E B2RXH2 2/20 0.41
GPR3 P46089 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 2/20 0.40
NCF1 P14598 1/20 0.40
NOS1 P29475 1/20 0.40
PI4KA P42356 1/20 0.40
PI4K2B Q8TCG2 1/20 0.40
PI4K2A Q9BTU6 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
GSK3B P49841 3/20 0.40
CYP3A4 P08684 2/20 0.40
CCNT1 O60563 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL728920 0.79 ERN1 (0.45) KDM4EGPR3CYP1A2CYP2C19MAPT
SCHEMBL1233760 0.76 LOXL2 (0.37) KDM4EGPR3CYP1A2CYP2C19NCF1
SCHEMBL1233757 0.76 KDM4E (0.36) KDM4EGPR3CYP1A2CYP2C19NCF1
SCHEMBL1100756 0.74 CYP1A2 (0.56) KMT2AMEN1POLBNR4A1KDM4E
SCHEMBL28690604 0.73 TYMS (0.50) KMT2AMEN1POLBNR4A1KDM4E
SCHEMBL30452163 0.73 KDM4E (0.47) KDM4EGPR3GAANCF1PI4KA
Hydrochloric Acid SCHEMBL28280840 0.72 CYP1A2 (0.54) KMT2AMEN1POLBNR4A1KDM4E
SCHEMBL1233826 0.72 KDM4E (0.33) KDM4EGPR3CYP1A2CYP2C19NOS1
SCHEMBL1233822 0.72 KDM4E (0.33) KDM4EGPR3CYP1A2CYP2C19NOS1
SCHEMBL1233271 0.72 PDE1A (0.43) KMT2AMEN1POLBKDM4EGPR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943610-B2 Pyrazolopyridine-1,4-diamines and analogs thereof 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-05-17 US disclosed
US-20090124611-A1 Pyrazolopyridine-1,4-Diamines and Analogs Thereof COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-05-14 US disclosed
EP-1869043-A2 PYRAZOLOPYRIDINE-1,4-DIAMINES AND ANALOGS THEREOF Coley Pharmaceutical Group, Inc. (US) 2007-12-26 EP disclosed
WO-2006107853-A2 PYRAZOLOPYRIDINE-1,4-DIAMINES AND ANALOGS THEREOF COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-10-12 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-20090124611-A1 Pyrazolopyridine-1,4-Diamines and Analogs Thereof IL4, IL2, IL1A KMT2A 3322/4885MEN1 2626/4885POLB 1395/4885

“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.