SCHEMBL56866

SCHEMBL56866

c1cc2c(cc1CNc1ccc3ncn(-c4cc(C5CC5)[nH]n4)c3n1)OCO2

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 4/20 0.52
CCNT1 O60563 1/20 0.43
CDK9 P50750 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
FYN P06241 2/20 0.38
PDE5A O76074 1/20 0.38
PDE9A O76083 1/20 0.38
CLK4 Q9HAZ1 3/20 0.38
DYRK1A Q13627 2/20 0.38
MAPK1 P28482 1/20 0.38
BRD4 O60885 1/20 0.38

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
SCHEMBL4698219 0.84 NTRK1 (0.59) NTRK1CCNT1CDK9CLK4DYRK1A
SCHEMBL4696455 0.84 NTRK1 (0.64) NTRK1CCNT1CDK9
SCHEMBL4694035 0.75 NTRK1 (0.54) NTRK1
SCHEMBL4698140 0.71 NTRK1 (0.66) NTRK1LMNACLK4MAPK1
SCHEMBL4695287 0.70 NTRK1 (0.62) NTRK1
SCHEMBL4693854 0.70 NTRK1 (0.59) NTRK1
SCHEMBL4695215 0.69 NUAK1 (0.61) NTRK1
SCHEMBL4750903 0.69 NTRK1 (0.79) NTRK1
SCHEMBL4694151 0.69 NTRK1 (0.55) NTRK1KMT2AMEN1
SCHEMBL3774702 0.69 NTRK1 (1.00) NTRK1

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-20120122892-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-05-17 US disclosed
US-8129403-B2 e.g. 2-[9-(5-Cyclopropyl-1H-pyrazol-3-yl)-6-methyl-9H-purin-2-ylamino]-2-(4-fluorophenyl)ethanol; tropomyosin-related kinases (Trk's) inhibitor; anticarcinoganic agent; solid tumors and leukemia ASTRAZENECA AB (SE) 2012-03-06 US disclosed
US-20080176872-A1 Chemical Compounds ASTRAZENECA AB (SE) 2008-07-24 US disclosed
EP-1853588-B1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2008-06-18 EP 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 (2 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-20080176872-A1 Chemical Compounds TP53, XPOT, KRAS NTRK1 4732/4885CCNT1 187/4885CDK9 160/4885
US-20120122892-A1 CHEMICAL COMPOUNDS TP53, XPOT, KRAS NTRK1 4681/4885CCNT1 169/4885CDK9 175/4885

“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.