Sugi Predict

Sugi Predict / Compounds / SCHEMBL2035508

SCHEMBL2035508

SCHEMBL2035508

CC1(C)CCC(C)(C)c2cc(-c3ncnc(N4CCNCC4)n3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 1/20 0.43
▸ RARB P10826 7/20 0.39
▸ RARA P10276 6/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ATM Q13315 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ UBE2N P61088 1/20 0.38
▸ RARG P13631 6/20 0.38
▸ PIK3CA P42336 2/20 0.38
▸ RXRA P19793 3/20 0.38
▸ CYP1A2 P05177 2/20 0.37
▸ ACHE P22303 1/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ CLK4 Q9HAZ1 1/20 0.35
▸ TAAR1 Q96RJ0 1/20 0.35
▸ ADRB1 P08588 1/20 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
SCHEMBL2031547 0.86 HRH4 (0.43) HRH4KMT2AATMALDH1A1KDM4E
SCHEMBL2038422 0.85 HRH4 (0.42) HRH4KMT2AALDH1A1KDM4EPOLB
SCHEMBL12959441 0.84 DKK1 (0.46) HRH4RARBRARARARGRXRA
SCHEMBL8512407 0.82 ADRB1 (0.44) RARBRARAKMT2AALDH1A1KDM4E
Hydrochloric Acid SCHEMBL8512430 0.81 ADRB1 (0.43) RARBRARAKMT2AALDH1A1KDM4E
SCHEMBL8515571 0.81 CYP1A2 (0.47) HRH4RARBRARAKMT2AALDH1A1
Hydrochloric Acid SCHEMBL8514610 0.80 CYP1A2 (0.46) HRH4RARBRARAKMT2AALDH1A1
SCHEMBL2016799 0.79 HRH4 (0.42) HRH4RARBRARAKMT2ARARG
SCHEMBL8514909 0.78 CYP1A2 (0.52) HRH4RARBRARAALDH1A1KDM4E
SCHEMBL12959442 0.78 HRH4 (0.42) HRH4RARBRARAKMT2ARARG

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 10 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

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 HRH4 419/4885RARB 4194/4885RARA 4373/4885

“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.