SCHEMBL18878944

SCHEMBL18878944

CNc1ccnc2cnccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LATS1 O95835 7/20 0.42
LATS2 Q9NRM7 6/20 0.42
AOC1 P19801 2/20 0.42
AOC3 Q16853 2/20 0.42
KDM4C Q9H3R0 2/20 0.41
KDM4A O75164 1/20 0.41
KDM4B O94953 1/20 0.41
KDM5C P41229 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
KDM3A Q9Y4C1 1/20 0.41
CHUK O15111 1/20 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

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
SCHEMBL18878996 0.85 AOC1 (0.42) AOC1AOC3KDM4CHTR1AADRA1D
SCHEMBL3722002 0.81 CA12 (0.44) LATS1LATS2KDM4CKDM4AKDM4B
SCHEMBL31375766 0.78 ALK (0.54) ADRA1AEGFR
SCHEMBL4500702 0.76 HTR1A (0.63) HTR1AADRA1DADRA1AADRA1BEGFR
SCHEMBL20278469 0.76 KDM4E (0.43) AOC1AOC3KDM4CHTR1AADRA1D
Hydrochloric Acid SCHEMBL1208911 0.74 HTR1A (0.61) HTR1AADRA1DADRA1AADRA1BEGFR
Hydrochloric Acid SCHEMBL29043209 0.74 HTR1A (0.61) HTR1AADRA1DADRA1AADRA1BEGFR
SCHEMBL8277148 0.74 CCR1 (0.46) LATS1LATS2KDM4CKDM4AKDM4B
SCHEMBL12653338 0.73 TERT (0.50) LATS1LATS2
SCHEMBL4251625 0.73 MAPK10 (0.53) HTR1AADRA1DADRA1AADRA1BPLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 LATS1 897/4885LATS2 884/4885AOC1 3929/4885

“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.