SCHEMBL13229320

SCHEMBL13229320

Cc1ncnc(N)c1-c1ccc2c(c1)NCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 3/20 0.44
▸ JAK3 P52333 2/20 0.44
▸ KDR P35968 6/20 0.41
▸ S1PR1 P21453 1/20 0.39
▸ PLK1 P53350 1/20 0.38
▸ MAP4K4 O95819 3/20 0.35
▸ CHEK1 O14757 2/20 0.35
▸ DAPK3 O43293 2/20 0.35
▸ PRKD3 O94806 2/20 0.35
▸ RET P07949 2/20 0.35
▸ FGFR1 P11362 2/20 0.35
▸ FLT1 P17948 2/20 0.35
▸ LTK P29376 2/20 0.35
▸ GRK5 P34947 2/20 0.35
▸ CSNK1A1 P48729 2/20 0.35
▸ CDK8 P49336 2/20 0.35
▸ CDK7 P50613 2/20 0.35
▸ RPS6KA3 P51812 2/20 0.35
▸ LIMK1 P53667 2/20 0.35
▸ CDK5 Q00535 2/20 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
SCHEMBL13229352 0.90 JAK2 (0.46) JAK2JAK3KDRS1PR1LRRK2
SCHEMBL13229310 0.81 JAK2 (0.42) JAK2JAK3KDRS1PR1LRRK2
SCHEMBL17755571 0.70 PIK3CD (0.57) KDRRETLCK
SCHEMBL29114864 0.69 DHFR (0.51) JAK2JAK3S1PR1ASIC3CDK9
SCHEMBL12484100 0.69 HEXA (0.54) S1PR1SMN1; SMN2
SCHEMBL17785717 0.69 JAK2 (0.41) JAK2JAK3S1PR1AURKBGFER
SCHEMBL13229196 0.68 ASIC3 (0.40) JAK2JAK3S1PR1ASIC3GFER
SCHEMBL2685244 0.67 PDE3B (0.47) JAK2JAK3S1PR1PLK1MAP4K4
SCHEMBL7018422 0.67 ADORA1 (0.58) CLK4SMN1; SMN2GSK3AGSK3BDYRK1A
Ethane SCHEMBL11793205 0.67 MAPT (0.50) S1PR1GFERSMN1; SMN2

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-8501747-B2 Functionally selective alpha2C adrenoreceptor agonists MERCK SHARP & DOHME CORP. (US) 2013-08-06 — — US disclosed
US-8501747-B2 Functionally selective alpha2C adrenoreceptor agonists MERCK SHARP & DOHME CORP. (US) 2013-08-06 — — US disclosed
US-20100197562-A1 FUNCTIONALLY SELECTIVE ALPHA2C ADRENORECEPTOR AGONISTS SCHERING CORPORATION AND PHARMACOPEIA, LLC (US) 2010-08-05 — — US disclosed
US-20100197562-A1 FUNCTIONALLY SELECTIVE ALPHA2C ADRENORECEPTOR AGONISTS SCHERING CORPORATION AND PHARMACOPEIA, LLC (US) 2010-08-05 — — US disclosed
WO-2008100456-A2 FUNCTIONALLY SELECTIVE ALPHA2C ADRENORECEPTOR AGONISTS SCHERING CORPORATION (US) 2008-08-21 — — 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-20100197562-A1 FUNCTIONALLY SELECTIVE ALPHA2C ADRENORECEPTOR AGONISTS ADRA2C, ADRB2, ADRB3 JAK2 780/4885JAK3 2064/4885KDR 951/4885

“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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