SCHEMBL16332659

SCHEMBL16332659

Clc1cccc(-c2nnc3ccc(-c4cccnc4)cn23)c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 8/20 0.60
▸ GRK5 P34947 1/20 0.60
▸ KDR P35968 2/20 0.54
▸ TEK Q02763 2/20 0.54
▸ P2RX7 Q99572 1/20 0.50
▸ NPY5R Q15761 2/20 0.47
▸ PIM1 P11309 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ MAPK14 Q16539 1/20 0.42
▸ GAA P10253 1/20 0.42

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
SCHEMBL16333063 0.88 NT5E (0.50) NT5EGRK5KDRTEKP2RX7
SCHEMBL16331371 0.86 GRK5 (0.50) NT5EGRK5KDRPIM1KDM4E
SCHEMBL16331090 0.81 NT5E (0.48) NT5EGRK5PIM1KDM4EHSD17B10
SCHEMBL16331202 0.80 NT5E (0.48) NT5EGRK5KDRPIM1KDM4E
SCHEMBL16331071 0.78 NT5E (0.59) NT5EGRK5P2RX7NPY5RKDM4E
SCHEMBL16331200 0.78 NT5E (0.76) NT5EGRK5PIM1KDM4EHSD17B10
SCHEMBL16331378 0.78 GRK5 (0.62) NT5EGRK5KDM4EHSD17B10MAPK14
SCHEMBL10960250 0.77 GRK5 (0.61) NT5EGRK5KDRTEKPIM1
SCHEMBL14653628 0.76 PIM1 (0.50) NT5EPIM1KDM4EHSD17B10NPC1
SCHEMBL31541590 0.76 TRPA1 (0.52) NT5EPIM1KDM4EHSD17B10MAPK14

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-9458463-B2 Method for treatment of diabetes by a small molecule inhibitor for GRK5 MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2016-10-04 — — US claimed
EP-2818471-A1 Nitrogen bicyclic compounds as inhibitors for Scyl1 and Grk5 Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2014-12-31 — — EP claimed
US-9458463-B2 Method for treatment of diabetes by a small molecule inhibitor for GRK5 MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2016-10-04 — — US disclosed
US-20150079108-A1 KINASES AS TARGETS FOR ANTI-DIABETIC THERAPY MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2015-03-19 — — US disclosed
EP-2818471-A1 Nitrogen bicyclic compounds as inhibitors for Scyl1 and Grk5 Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2014-12-31 — — EP 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-20150079108-A1 KINASES AS TARGETS FOR ANTI-DIABETIC THERAPY GCKR, GRK4, GRK5 NT5E 2132/4885GRK5 3/4885KDR 1123/4885

“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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