SCHEMBL22482006

SCHEMBL22482006

CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)NCCC(F)(F)F)c2C1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 10/20 0.41
CDK5 Q00535 2/20 0.41
CDK5R1 Q15078 2/20 0.41
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
NAMPT P43490 1/20 0.37
EP300 Q09472 2/20 0.37
CREBBP Q92793 2/20 0.37
GAA P10253 1/20 0.36
RIPK1 Q13546 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
BRD4 O60885 1/20 0.35

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
SCHEMBL22482203 0.86 CDK5 (0.44) RBP4CDK5CDK5R1NAMPTGAA
SCHEMBL17870544 0.84 RBP4 (0.40) RBP4CDK5CDK5R1NAMPTEP300
SCHEMBL29386147 0.83 RBP4 (0.42) RBP4NAMPTEP300CREBBPGAA
SCHEMBL5465401 0.83 KDM4E (0.47) RBP4CDK5CDK5R1GSK3BNAMPT
SCHEMBL4795587 0.81 NPC1 (0.48) RBP4CDK5CDK5R1GAANPC1
SCHEMBL22481978 0.80 HSP90AA1 (0.45) GAANPC1RAB9A
SCHEMBL22482230 0.80 ADORA1 (0.39) GSK3BDYRK1A
SCHEMBL22029668 0.80 NAMPT (0.36) RBP4CDK5CDK5R1NAMPTEP300
SCHEMBL4792110 0.79 ADORA1 (0.46) RBP4EP300CREBBPBRD4
SCHEMBL14520683 0.79 ESR2 (0.41) RBP4EP300CREBBPBRD4

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-20220119419-A1 BYCYCLIC JAK INHIBITORS AND USES THEREOF INSILICO MEDICINE IP LIMITED (HK) 2022-04-21 US disclosed
WO-2020198583-A1 BICYCLIC JAK INHIBITORS AND USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2020-10-01 WO 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-20220119419-A1 BYCYCLIC JAK INHIBITORS AND USES THEREOF JAK1, JAK2, JAK3 RBP4 3072/4885CDK5 27/4885CDK5R1 169/4885

“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.