SCHEMBL16331371

SCHEMBL16331371

Clc1cccc(-c2nnc3ccc(-c4ccncc4)cn23)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GRK5 P34947 1/20 0.50
▸ NT5E P21589 8/20 0.49
▸ PIM1 P11309 3/20 0.47
▸ BCHE P06276 1/20 0.47
▸ FLT3 P36888 2/20 0.46
▸ GSK3B P49841 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ KDR P35968 2/20 0.44
▸ FYN P06241 1/20 0.44
▸ MAPK14 Q16539 1/20 0.44
▸ RET P07949 1/20 0.43
▸ FGFR1 P11362 1/20 0.43
▸ FLT1 P17948 1/20 0.43
▸ PIM3 Q86V86 1/20 0.43
▸ ALK Q9UM73 1/20 0.43

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
SCHEMBL16332659 0.86 NT5E (0.60) GRK5NT5EPIM1KDM4EHSD17B10
SCHEMBL16333063 0.85 NT5E (0.50) GRK5NT5EPIM1KDM4EHSD17B10
SCHEMBL16331090 0.83 NT5E (0.48) GRK5NT5EPIM1KDM4EHSD17B10
SCHEMBL16331202 0.82 NT5E (0.48) GRK5NT5EPIM1FLT3KDM4E
SCHEMBL16331200 0.80 NT5E (0.76) GRK5NT5EPIM1KDM4EHSD17B10
SCHEMBL14653628 0.78 PIM1 (0.50) NT5EPIM1KDM4EHSD17B10MAPK14
SCHEMBL14638460 0.78 TRPA1 (0.52) NT5EPIM1KDM4EHSD17B10MAPK14
SCHEMBL31541590 0.78 TRPA1 (0.52) NT5EPIM1KDM4EHSD17B10MAPK14
SCHEMBL11168654 0.78 MAPK14 (0.52) GRK5NT5EPIM1FLT3KDM4E
SCHEMBL16331343 0.78 PIM1 (0.51) NT5EPIM1KDM4EHSD17B10KDR

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 GRK5 3/4885NT5E 2132/4885PIM1 796/4885

“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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