SCHEMBL5913889

SCHEMBL5913889

CN(c1cccc(-c2ccc(C(F)(F)F)cc2)n1)c1ccnc(NCCc2ccccc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.43
▸ ACP1 P24666 1/20 0.42
▸ CCNC P24863 1/20 0.42
▸ CDK8 P49336 1/20 0.42
▸ MKNK2 Q9HBH9 3/20 0.42
▸ MKNK1 Q9BUB5 2/20 0.42
▸ HTR7 P34969 2/20 0.41
▸ ADRA2B P18089 1/20 0.41
▸ ADRA2C P18825 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ HRH2 P25021 1/20 0.41
▸ HTR1D P28221 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ HTR2B P41595 1/20 0.41
▸ HTR5A P47898 1/20 0.41
▸ HTR6 P50406 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ TMEM97 Q5BJF2 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL5914257 0.90 MAPT (0.45) MAPTCCNCCDK8MKNK2MKNK1
SCHEMBL5914156 0.90 HTR7 (0.46) MKNK2MKNK1HTR7ADRA2BADRA2C
SCHEMBL5914059 0.88 HTR7 (0.43) MAPTMKNK2MKNK1HTR7ADRA2B
SCHEMBL5914231 0.84 CYP1A2 (0.45) MAPTMKNK2HTR7ADRA2BADRA2C
SCHEMBL5913829 0.82 MAPK14 (0.45) MAPTMKNK2MKNK1HTR7ADRA2B
SCHEMBL5913939 0.80 HTR7 (0.44) MAPTMKNK2MKNK1HTR7ADRA2B
SCHEMBL5913817 0.80 CCNT1 (0.45) MKNK2MKNK1HTR7ADRA2BADRA2C
SCHEMBL5914306 0.79 MKNK1 (0.47) MKNK2MKNK1HTR7ADRA2BADRA2C
SCHEMBL5913967 0.77 HTR7 (0.48) MAPTMKNK2MKNK1HTR7ADRA2B
SCHEMBL5913903 0.73 CTSC (0.45) MAPTACP1CCNCCDK8MKNK2

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-20060069110-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2006-03-30 — — 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-20060069110-A1 Substituted heterocyclic compounds and methods of use MAPT, MYLK2, IAPP MAPT 1/4885ACP1 801/4885CCNC 3540/4885

“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.

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