SCHEMBL1898650

SCHEMBL1898650

O=C(Cl)c1[nH]nc2c(Cl)nc3ccccc3c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.37
DYRK1A Q13627 2/20 0.36
CLK1 P49759 1/20 0.36
CDK9 P50750 1/20 0.36
CDK5 Q00535 1/20 0.36
DYRK2 Q92630 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 2/20 0.34
TP53 P04637 2/20 0.33
GAA P10253 2/20 0.33
USP2 O75604 1/20 0.33
HTT P42858 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL5511254 0.78 GAA (0.38) NOS1DYRK1ACLK1CDK9CDK5
SCHEMBL1894901 0.76 KMT2A (0.44) NOS1DYRK1ACDK9CDK5MAOA
SCHEMBL14324206 0.76 CHEK1 (0.44) NOS1MAOAMAOBTDP1ELANE
SCHEMBL14323570 0.73 PIM1 (0.41) NOS1MAOAMAOBTDP1KDM4E
SCHEMBL14323875 0.72 ELANE (0.38) NOS1MAOAMAOBTDP1KDM4E
SCHEMBL1897854 0.69 ELANE (0.43) KDM4EGAAALDH1A1GLAHPGD
SCHEMBL12781497 0.67 MAPT (0.54) KDM4EGAASMN1; SMN2MAPTKMT2A
SCHEMBL9157834 0.66 TDP1 (0.71) MAOAMAOBTDP1KDM4EGAA
SCHEMBL20352582 0.65 MAOA (0.45) MAOAMAOBTDP1KDM4EGAA
SCHEMBL3156280 0.65 PDE10A (0.54) KDM4ETP53GAAHTTALDH1A1

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 NOS1 745/4885DYRK1A 3102/4885CLK1 3352/4885

“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.