SCHEMBL19706067

SCHEMBL19706067

C/N=C\c1cccc(-c2ccc3c(n2)N(C(=O)Nc2cncc(OC)n2)[C@H]2CCN3C2)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NEK2 P51955 1/20 0.34
▸ FFAR4 Q5NUL3 2/20 0.32
▸ MTOR P42345 5/20 0.32
▸ PIK3CA P42336 3/20 0.32
▸ PIM2 Q9P1W9 5/20 0.32
▸ DYRK1A Q13627 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ PIM1 P11309 2/20 0.31
▸ BRAF P15056 1/20 0.31
▸ ADORA3 P0DMS8 1/20 0.30
▸ ADORA2B P29275 1/20 0.30
▸ ADORA1 P30542 1/20 0.30
▸ EGFR P00533 1/20 0.30
▸ DYRK3 O43781 1/20 0.30
▸ CCNT1 O60563 1/20 0.30
▸ CCNA2 P20248 1/20 0.30

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
SCHEMBL19670391 1.00 NEK2 (0.34) NEK2FFAR4MTORPIK3CAPIM2
SCHEMBL19365493 0.88 FAAH (0.40) NEK2MTORPIK3CADYRK1AALDH1A1
SCHEMBL19706066 0.87 FAAH (0.35) NEK2PIM2DYRK1A
SCHEMBL19670259 0.87 FAAH (0.35) NEK2PIM2DYRK1A
SCHEMBL17618435 0.87 GRM5 (0.36) NEK2FFAR4ALDH1A1GAABRAF
SCHEMBL19670254 0.87 NEK2 (0.34) NEK2MTORPIK3CADYRK1ACYP1A2
SCHEMBL17618601 0.87 POLQ (0.38) NEK2FFAR4MTORPIK3CADYRK1A
SCHEMBL19670287 0.85 PHGDH (0.38) ALDH1A1GAAHPGDHPGDS
SCHEMBL17618490 0.85 GPR6 (0.40) NEK2BRAF
SCHEMBL19365385 0.85 CNR2 (0.35) DYRK1AALDH1A1

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-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — 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 (2 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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 NEK2 2615/4885FFAR4 2361/4885MTOR 433/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 NEK2 2615/4885FFAR4 2361/4885MTOR 433/4885

“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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