SCHEMBL16786019

SCHEMBL16786019

CCCNc1cc(Oc2ccc(-c3nnc(Nc4cccc(C)c4)[nH]3)cc2)nc(N)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 2/20 0.37
RAB9A P51151 4/20 0.34
NPC1 O15118 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NOD1 Q9Y239 1/20 0.34
PDGFRB P09619 1/20 0.34
KIT P10721 1/20 0.34
PDGFRA P16234 1/20 0.34
CDK11B P21127 1/20 0.34
FLT3 P36888 1/20 0.34
CDKL2 Q92772 1/20 0.34
KDR P35968 2/20 0.33
TNNI3K Q59H18 2/20 0.33
BRAF P15056 1/20 0.33
MAPK14 Q16539 1/20 0.33
MAPT P10636 3/20 0.33
TLR8 Q9NR97 2/20 0.33
RECQL P46063 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LOXL2 Q9Y4K0 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
SCHEMBL16788868 0.88 PDGFRB (0.47) NUDT1PDGFRBKITPDGFRACDK11B
SCHEMBL14949336 0.88 PDGFRB (0.41) RAB9ANPC1PDGFRBKITPDGFRA
SCHEMBL14949247 0.88 RAB9A (0.37) NUDT1RAB9ANPC1SMN1; SMN2NOD1
SCHEMBL14949288 0.86 RAB9A (0.39) NUDT1RAB9ANPC1SMN1; SMN2NOD1
SCHEMBL14949279 0.85 PDGFRB (0.37) NUDT1RAB9ANPC1SMN1; SMN2NOD1
SCHEMBL14949260 0.82 KIT (0.37) RAB9ANPC1SMN1; SMN2NOD1PDGFRB
SCHEMBL14949256 0.81 ROCK1 (0.39) RAB9ANPC1NOD1PDGFRBKIT
SCHEMBL14949266 0.81 PDGFRB (0.40) RAB9ANPC1NOD1PDGFRBKIT
SCHEMBL14949274 0.80 PDGFRB (0.41) RAB9ANPC1SMN1; SMN2NOD1PDGFRB
SCHEMBL14949261 0.80 NPC1 (0.34) RAB9ANPC1SMN1; SMN2NOD1PDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9212151-B2 Heterocyclic compounds useful for kinase inhibition AMITECH THERAPEUTIC SOLUTIONS, INC. (US) 2015-12-15 US disclosed
US-20150158828-A1 Heterocyclic Compounds Useful for Kinase Inhibition AMITECH THERAPEUTIC SOLUTIONS, INC. 2015-06-11 US 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-20150158828-A1 Heterocyclic Compounds Useful for Kinase Inhibition MAP4K2, MAP3K20, MAP3K19 NUDT1 1966/4885RAB9A 1281/4885NPC1 3866/4885

“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.