SCHEMBL12540412

SCHEMBL12540412

c1ccn2ncc(C3CCCOC3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CAMKK1 Q8N5S9 1/20 0.41
▸ CAMKK2 Q96RR4 1/20 0.41
▸ DRD4 P21917 3/20 0.39
▸ DRD3 P35462 3/20 0.39
▸ PDE1A P54750 1/20 0.39
▸ PDE1B Q01064 1/20 0.39
▸ PDE1C Q14123 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ MAPK1 P28482 1/20 0.35
▸ MAP4K4 O95819 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ PDE10A Q9Y233 2/20 0.34
▸ TSHR P16473 2/20 0.33
▸ MKNK2 Q9HBH9 1/20 0.33
▸ USP2 O75604 1/20 0.33

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
SCHEMBL29548217 0.73 ALDH1A1 (0.40) CAMKK1CAMKK2DRD4DRD3ALDH1A1
SCHEMBL29549122 0.73 CAMKK1 (0.38) CAMKK1CAMKK2DRD4DRD3PDE1A
SCHEMBL14849720 0.71 TRPV1 (0.38) PDE1APDE1BPDE1CTYK2
SCHEMBL29548203 0.68 CAMKK1 (0.38) CAMKK1CAMKK2DRD4DRD3ALDH1A1
SCHEMBL29548233 0.67 CAMKK1 (0.36) CAMKK1CAMKK2DRD4DRD3PDE1A
SCHEMBL14685880 0.67 TP53 (0.47) PDE10A
SCHEMBL14849672 0.67 HTR2C (0.49) KDM4EPDE10A
SCHEMBL29548929 0.67 DRD4 (0.39) CAMKK1CAMKK2DRD4DRD3ALDH1A1
SCHEMBL1160605 0.66 JAK1 (0.54) PDE1APDE1BPDE1CJAK2JAK1
SCHEMBL14849768 0.66 SLC18A3 (0.42) DRD4DRD3TSHR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946257-B2 N-containing heteroaryl derivatives as JAK3 kinase inhibitors VECTURA LIMITED (GB) 2015-02-03 — — US disclosed
US-20130289015-A1 N-CONTAINING HETEROARYL DERIVATIVES AS JAK3 KINASE INHIBITORS PALAU PHARMA, S.A. 2013-10-31 — — US disclosed
US-8501735-B2 N-containing heteroaryl derivatives as JAK3 kinase inhibitors PALAU PHARMA, S.A. (ES) 2013-08-06 — — US disclosed
US-20130131038-A9 N-CONTAINING HETEROARYL DERIVATIVES AS JAK3 KINASE INHIBITORS VECTURA LIMITED (GB) 2013-05-23 — — US disclosed
US-20120245140-A1 N-CONTAINING HETEROARYL DERIVATIVES AS JAK3 KINASE INHIBITORS ALMANSA ROSALES CARMEN (ES) 2012-09-27 — — 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-20130289015-A1 N-CONTAINING HETEROARYL DERIVATIVES AS JAK3 KINASE INHIBITORS JAK3, JAK2, JAK1 CAMKK1 1476/4885CAMKK2 1272/4885DRD4 3367/4885
US-20120245140-A1 N-CONTAINING HETEROARYL DERIVATIVES AS JAK3 KINASE INHIBITORS JAK3, JAK2, JAK1 CAMKK1 1476/4885CAMKK2 1272/4885DRD4 3367/4885
US-20130131038-A9 N-CONTAINING HETEROARYL DERIVATIVES AS JAK3 KINASE INHIBITORS JAK3, JAK2, JAK1 CAMKK1 1476/4885CAMKK2 1272/4885DRD4 3367/4885

“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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