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SCHEMBL2016286

SCHEMBL2016286

COc1ccc(N2CCNCC2)nc1-c1ccc2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 1/20 0.42
▸ RARA P10276 1/20 0.41
▸ RARB P10826 1/20 0.41
▸ RARG P13631 1/20 0.41
▸ ZAP70 P43403 2/20 0.41
▸ PRKD3 O94806 1/20 0.41
▸ EGFR P00533 1/20 0.41
▸ PRKCG P05129 1/20 0.41
▸ PRKCB P05771 1/20 0.41
▸ LCK P06239 1/20 0.41
▸ PRKCA P17252 1/20 0.41
▸ PRKCH P24723 1/20 0.41
▸ PRKCI P41743 1/20 0.41
▸ PRKCE Q02156 1/20 0.41
▸ PRKCQ Q04759 1/20 0.41
▸ PRKCZ Q05513 1/20 0.41
▸ PRKCD Q05655 1/20 0.41
▸ PRKD1 Q15139 1/20 0.41
▸ IL2 P60568 1/20 0.40
▸ MAP4K1 Q92918 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
SCHEMBL2053466 0.86 RARG (0.43) ALKRARARARBRARGZAP70
SCHEMBL12632948 0.80 HTR3E (0.54) RARARARBRARGHTR3EHTR3B
SCHEMBL12959455 0.80 RARG (0.40) RARARARBRARGSUV39H2TNF
SCHEMBL2012573 0.79 RARA (0.40) RARARARBRARGSUV39H2TNF
SCHEMBL12632538 0.79 HPGD (0.40) RARARARBRARGALDH1A1TNF
SCHEMBL2014630 0.78 RARA (0.51) RARARARBPRKCAPRKCQPRKCD
SCHEMBL8515571 0.76 CYP1A2 (0.47) RARARARBRARGPRKD3PRKD1
Hydrochloric Acid SCHEMBL8514610 0.75 CYP1A2 (0.46) RARARARBRARGPRKD3PRKD1
SCHEMBL8514096 0.74 ROCK2 (0.55) RARARARBKDM4EALDH1A1KMT2A
SCHEMBL9612709 0.74 KMT2A (0.47) RARARARBRARGPRKD3PRKD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9062015-B2 Inhibitors of sphingosine kinase MERCK PATENT GMBH (DE) 2015-06-23 — — US disclosed
US-9062015-B2 Inhibitors of sphingosine kinase MERCK PATENT GMBH (DE) 2015-06-23 — — US disclosed
US-9062015-B2 Inhibitors of sphingosine kinase MERCK PATENT GMBH (DE) 2015-06-23 — — US disclosed
EP-2513057-B1 SPHINGOSINE KINASE INHIBITORS MERCK PATENT GMBH (DE) 2013-09-04 — — EP disclosed
EP-2513057-B1 SPHINGOSINE KINASE INHIBITORS MERCK PATENT GMBH (DE) 2013-09-04 — — EP disclosed
EP-2513057-A1 SPHINGOSINE KINASE INHIBITORS Merck Patent GmbH (DE) 2012-10-24 — — EP disclosed
US-20120252789-A1 INHIBITORS OF SPHINGOSINE KINASE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-04 — — US disclosed
US-20120252789-A1 INHIBITORS OF SPHINGOSINE KINASE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-04 — — US disclosed
US-20120252789-A1 INHIBITORS OF SPHINGOSINE KINASE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-04 — — US disclosed
WO-2011072791-A1 SPHINGOSINE KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-06-23 — — WO disclosed
WO-2011072791-A1 SPHINGOSINE KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-06-23 — — 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-20120252789-A1 INHIBITORS OF SPHINGOSINE KINASE SPHK1, SPHK2, S1PR3 ALK 311/4885RARA 4373/4885RARB 4194/4885

“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.