SCHEMBL4800521

SCHEMBL4800521

Cc1ccccc1-n1cncc1C(=O)Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
PI4KA P42356 1/20 0.38
PI4K2B Q8TCG2 1/20 0.38
PI4K2A Q9BTU6 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
HCAR1 Q9BXC0 1/20 0.38
ALDH1A1 P00352 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK14 Q16539 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
RPS6KB1 P23443 1/20 0.36
ATP4A P20648 1/20 0.35
ATP4B P51164 1/20 0.35
MGLL Q99685 1/20 0.35
NOTUM Q6P988 1/20 0.35

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
SCHEMBL17893848 0.86 ALDH1A1 (0.48) HSP90AA1HSP90AB1HCAR1ALDH1A1TDP1
SCHEMBL22732231 0.84 HSP90AA1 (0.44) HSP90AA1HSP90AB1PI4KAPI4K2BPI4K2A
SCHEMBL13180099 0.74 HSP90AA1 (0.48) HSP90AA1HSP90AB1PI4KAPI4K2BPI4K2A
SCHEMBL28072949 0.71 HSP90AA1 (0.43) HSP90AA1HSP90AB1PI4KAPI4K2BPI4K2A
SCHEMBL28073056 0.71 HSP90AA1 (0.43) HSP90AA1HSP90AB1PI4KAPI4K2BPI4K2A
SCHEMBL30349922 0.70 ALDH1A1 (0.44) HCAR1ALDH1A1TDP1MEN1KMT2A
Hydrochloric Acid SCHEMBL10870363 0.70 RAB9A (0.34) ALDH1A1TDP1KMT2ARAB9ACYP1A2
SCHEMBL13145112 0.69 HSP90AA1 (0.53) HSP90AA1HSP90AB1PI4KAPI4K2BPI4K2A
SCHEMBL30350059 0.69 CYP11B2 (0.52) ALDH1A1TDP1KMT2AKDM4EMAPT
SCHEMBL19825146 0.68 HSD11B1 (0.53) CYP11B1CYP11B2

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-7427616-B2 Condensed pyridines and pyrimidines with tie2 (TEK) activity ASTRAZENECA AB (SE) 2008-09-23 US disclosed
US-20050256140-A1 Condensed pyridines and pyrimidines with tie2 (tek) activity ASTRAZENECA AB (SE) 2005-11-17 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-20050256140-A1 Condensed pyridines and pyrimidines with tie2 (tek) activity TIE1, TEK, KDR HSP90AA1 3063/4885HSP90AB1 3114/4885PI4KA 3348/4885

“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.