SCHEMBL3096597

SCHEMBL3096597

O=C(c1ccc(-c2nc3c(I)c(F)cnc3[nH]2)cc1)N1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 2/20 0.49
RIPK1 Q13546 1/20 0.48
HDAC4 P56524 1/20 0.43
PIK3CA P42336 1/20 0.43
MTOR P42345 1/20 0.43
PIK3CG P48736 1/20 0.43
KCNH2 Q12809 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HPGD P15428 2/20 0.42
PLK4 O00444 1/20 0.42
JAK2 O60674 1/20 0.42
MAP4K4 O95819 1/20 0.42
ROS1 P08922 1/20 0.42
FGFR1 P11362 1/20 0.42
FLT1 P17948 1/20 0.42
MARK3 P27448 1/20 0.42
FLT4 P35916 1/20 0.42
KDR P35968 1/20 0.42
FLT3 P36888 1/20 0.42
CLK2 P49760 1/20 0.42

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
SCHEMBL3078427 0.88 LRRK2 (0.48) ATRRIPK1PIK3CAMTORPIK3CG
SCHEMBL3084428 0.88 RIPK1 (0.48) ATRRIPK1HDAC4PIK3CAMTOR
SCHEMBL14041306 0.88 RIPK1 (0.48) ATRRIPK1HDAC4PIK3CAMTOR
SCHEMBL3090291 0.80 TGFBR1 (0.44) HPGDPARP1ALDH1A1
SCHEMBL3089198 0.79 ALOX5 (0.52) AURKBCDK1CDK2CDK9PARP1
SCHEMBL4908920 0.78 RIPK1 (0.55) ATRRIPK1HDAC4PIK3CAMTOR
SCHEMBL17645897 0.78 RIPK1 (0.55) ATRRIPK1HDAC4PIK3CAMTOR
SCHEMBL4748880 0.76 RIPK1 (0.48) ATRRIPK1HDAC4PIK3CAMTOR
SCHEMBL14041305 0.76 RIPK1 (0.48) ATRRIPK1HDAC4PIK3CAMTOR
SCHEMBL4936228 0.73 GSK3A (0.60) RIPK1SMN1; SMN2HPGDJAK2CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234593-A1 Imidazo[4,5-B]Pyridine-7-Carboxamides 704 ASTRAZENECA AB (SE) 2010-09-16 US claimed
US-20100234593-A1 Imidazo[4,5-B]Pyridine-7-Carboxamides 704 ASTRAZENECA AB (SE) 2010-09-16 US disclosed
US-20100234593-A1 Imidazo[4,5-B]Pyridine-7-Carboxamides 704 ASTRAZENECA AB (SE) 2010-09-16 US disclosed
US-20100234593-A1 Imidazo[4,5-B]Pyridine-7-Carboxamides 704 ASTRAZENECA AB (SE) 2010-09-16 US disclosed
WO-2008121063-A1 NEW IMIDAZO[ 4,5-B]PYRIDINE-7-CARBOXAMIDES 704 ASTRAZENECA AB (SE) 2008-10-09 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-20100234593-A1 Imidazo[4,5-B]Pyridine-7-Carboxamides 704 HDAC4, HDAC7, BRD4 ATR 3849/4885RIPK1 4004/4885HDAC4 1/4885

“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.