SCHEMBL3452045

SCHEMBL3452045

Brc1cnc2ccc(NCCCN3CCOCC3)nn12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 2/20 0.49
▸ EGFR P00533 3/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ GLA P06280 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ RAD52 P43351 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ FYN P06241 2/20 0.41
▸ SIGMAR1 Q99720 2/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ BCR P11274 1/20 0.41
▸ MKNK1 Q9BUB5 1/20 0.41
▸ TSHR P16473 1/20 0.40

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
SCHEMBL12699333 0.93 PIM1 (0.56) PIM1EGFRHSD17B10KDM4ENPC1
SCHEMBL3452622 0.89 MAPK1 (0.45) HSD17B10MAPK1FYNMKNK1TSHR
SCHEMBL3452219 0.87 NMT1 (0.48) EGFRHSD17B10MAPK1FYNMKNK1
SCHEMBL13110861 0.86 PIM1 (0.49) PIM1EGFRHSD17B10KDM4ENPC1
SCHEMBL13110863 0.86 PIM1 (0.49) PIM1HSD17B10KDM4ENPC1RAB9A
Hydrochloric Acid SCHEMBL3453189 0.85 PIM1 (0.48) PIM1HSD17B10KDM4ENPC1RAB9A
SCHEMBL13110898 0.84 PIM1 (0.50) PIM1HSD17B10KDM4ENPC1RAB9A
Hydrochloric Acid SCHEMBL3452597 0.83 PIM1 (0.49) PIM1HSD17B10KDM4ENPC1RAB9A
SCHEMBL3648939 0.82 PIM1 (0.62) PIM1HSD17B10MAPK1FYNMKNK1
SCHEMBL13126918 0.82 PIM1 (0.47) PIM1EGFRHSD17B10KDM4ENPC1

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
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
US-7820670-B2 6-aminoimidazo[1,2-b]pyridazine analogs as rho kinase inhibitors for the treatment of rho kinase-mediated diseases and conditions ALCON RESEARCH, LTD. (US) 2010-10-26 — — US disclosed
US-20080153813-A1 6-AMINOIMIDAZO[1,2-b]PYRIDAZINE ANALOGS AS RHO KINASE INHIBITORS FOR THE TREATMENT OF RHO KINASE-MEDIATED DISEASES AND CONDITIONS ALCON MANUFACTURING, LTD. (US) 2008-06-26 — — 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 (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-20080153813-A1 6-AMINOIMIDAZO[1,2-b]PYRIDAZINE ANALOGS AS RHO KINASE INHIBITORS FOR THE TREATMENT OF RHO KINASE-MEDIATED DISEASES AND CONDITIONS ROCK2, ROCK1, RHOT2 PIM1 2962/4885EGFR 2377/4885HSD17B10 4125/4885

“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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