SCHEMBL20355566

SCHEMBL20355566

O=C(Nc1ccccc1)c1cnc2ccc(-c3cccc(C(F)(F)F)c3)nn12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 12/20 0.65
▸ THRB P10828 1/20 0.51
▸ DYRK1A Q13627 2/20 0.48
▸ DYRK2 Q92630 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ GABRA1 P14867 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ GABRG2 P18507 1/20 0.48
▸ GABRB3 P28472 1/20 0.48
▸ GABRA5 P31644 1/20 0.48
▸ GABRA3 P34903 1/20 0.48
▸ GABRA2 P47869 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ CCNA2 P20248 1/20 0.47
▸ CDK2 P24941 1/20 0.47

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
SCHEMBL14897328 0.90 FYN (0.61) FYNDYRK1ABRAF
SCHEMBL14881423 0.87 FYN (0.57) FYNDYRK1ADYRK2KDM4EALDH1A1
SCHEMBL14881421 0.86 FYN (0.61) FYNDYRK1ADYRK2KDM4EALDH1A1
SCHEMBL1203606 0.86 FYN (0.59) FYN
SCHEMBL14896957 0.84 FYN (0.55) FYNDYRK1ADYRK2KDM4EALDH1A1
SCHEMBL14897308 0.84 FYN (0.58) FYNDYRK1ADYRK2KDM4EALDH1A1
SCHEMBL14896773 0.83 FYN (0.59) FYNDYRK1ADYRK2KDM4EALDH1A1
SCHEMBL18654590 0.83 FYN (0.60) FYNDYRK1ADYRK2KDM4EALDH1A1
SCHEMBL18613315 0.79 FYN (1.00) FYN
SCHEMBL14897036 0.78 FYN (0.51) FYNDYRK1AKDM4EALDH1A1HPGD

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-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2018-07-05 — — US disclosed
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2018-07-05 — — 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-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 FYN 1609/4885THRB 1348/4885DYRK1A 2222/4885

“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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