SCHEMBL22601389

SCHEMBL22601389

Cc1cc(OCC(=N)c2cccnc2NC(=O)OC(C)(C)C)c(C(C)C)cc1C#N

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 11/20 0.36
LMNA P02545 1/20 0.34
EGLN2 Q96KS0 1/20 0.33
AURKA O14965 1/20 0.33
RPS6KB1 P23443 1/20 0.33
NSD2 O96028 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL14979178 0.77 METAP1 (0.39) AURKARPS6KB1
SCHEMBL16963126 0.75 LMNA (0.40) AAK1LMNANPC1RAB9AMAPK1
SCHEMBL14979177 0.71 AKT1 (0.41) AURKARPS6KB1NPC1RAB9ASMN1; SMN2
SCHEMBL5465531 0.71 HPGD (0.44) AAK1EGLN2NPC1RAB9ASMN1; SMN2
SCHEMBL31565018 0.71 HPGD (0.44) AAK1EGLN2NPC1RAB9ASMN1; SMN2
SCHEMBL20901331 0.70 METAP1 (0.44) NPC1RAB9AMAPK1SMN1; SMN2
SCHEMBL22601392 0.70 HTR1A (0.35) LMNAEGLN2SMN1; SMN2
SCHEMBL16963451 0.69 PTGDR2 (0.46) LMNAMAPK1SMN1; SMN2
SCHEMBL14979175 0.69 METAP1 (0.44) AURKARPS6KB1NPC1RAB9ASMN1; SMN2
SCHEMBL22601390 0.68 PTGDR2 (0.36) AAK1NSD2

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
US-11352330-B2 Phenoxymethyl derivatives HOFFMANN-LA ROCHE INC. (US) 2022-06-07 US disclosed
US-20200339522-A1 PHENOXYMETHYL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-10-29 US disclosed
US-20160303110-A1 METHODS OF TREATING ABNORMAL MUSCULAR ACTIVITY AUSPEX PHARMACEUTICALS, INC. (US) 2016-10-20 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 (3 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-20200339522-A1 PHENOXYMETHYL DERIVATIVES CNKSR1, RB1, RCOR1 AAK1 3659/4885LMNA 2843/4885EGLN2 1285/4885
US-11352330-B2 Phenoxymethyl derivatives CNKSR1, RB1, RCOR1 AAK1 3659/4885LMNA 2843/4885EGLN2 1285/4885
US-20160303110-A1 METHODS OF TREATING ABNORMAL MUSCULAR ACTIVITY PYGM, TNNC1, MUSK AAK1 2569/4885LMNA 645/4885EGLN2 2803/4885

“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.