SCHEMBL18878996

SCHEMBL18878996

CNc1ccnc2ccncc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC1 P19801 2/20 0.42
AOC3 Q16853 2/20 0.42
KDM4C Q9H3R0 1/20 0.41
TGFBR1 P36897 1/20 0.39
EGFR P00533 4/20 0.39
HTR1A P08908 2/20 0.38
ADRA1D P25100 2/20 0.38
ADRA1A P35348 2/20 0.38
ADRA1B P35368 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
SLC22A12 Q96S37 2/20 0.37
CDK8 P49336 4/20 0.37
PLK4 O00444 1/20 0.37
CHEK1 O14757 1/20 0.37
PDPK1 O15530 1/20 0.37
PRKD3 O94806 1/20 0.37

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
SCHEMBL18878944 0.85 LATS1 (0.42) AOC1AOC3KDM4CEGFRHTR1A
SCHEMBL10727523 0.81 CA12 (0.44) TGFBR1EGFRHTR1AADRA1DADRA1A
SCHEMBL4500702 0.76 HTR1A (0.63) EGFRHTR1AADRA1DADRA1AADRA1B
SCHEMBL4243806 0.75 PTGS1 (0.52) TGFBR1EGFRCDK8CDK2KDR
Hydrochloric Acid SCHEMBL1208911 0.74 HTR1A (0.61) EGFRHTR1AADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL29043209 0.74 HTR1A (0.61) EGFRHTR1AADRA1DADRA1AADRA1B
SCHEMBL30102645 0.74 FERMT2 (0.53) EGFRHTR1AADRA1DADRA1AADRA1B
SCHEMBL3147611 0.74 CCR1 (0.46) EGFRSLC22A12CDK8DYRK1ACCNC
SCHEMBL13437809 0.73 TERT (0.54) AOC1AOC3KDM4C
SCHEMBL4244314 0.73 MAPK10 (0.53) TGFBR1EGFRHTR1AADRA1DADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021226458-A1 AKT3 MODULATORS GEORGIAMUNE LLC (US) 2021-11-11 WO disclosed
WO-2021226519-A1 AKT3 MODULATORS GEORGIAMUNE LLC (US) 2021-11-11 WO disclosed
US-20170145009-A1 HETEROCYCLIC COMPOUNDS THAT INHIBIT THE KINASE ACTIVITY OF MNK USEFUL FOR TREATING VARIOUS CANCERS EFFECTOR THERAPEUTICS, INC. 2017-05-25 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-20170145009-A1 HETEROCYCLIC COMPOUNDS THAT INHIBIT THE KINASE ACTIVITY OF MNK USEFUL FOR TREATING VARIOUS CANCERS MAP3K9, MAP3K19, MAP3K20 AOC1 3929/4885AOC3 3598/4885KDM4C 2057/4885

“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.