Sugi Predict

Sugi Predict / Compounds / SCHEMBL11930879

SCHEMBL11930879

SCHEMBL11930879

OC[C@@H]1CCCC[C@@H]1Nc1cc(NCCCN2CCCC2)n2ncc(Br)c2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TYK2 P29597 3/20 0.37
▸ CSNK2A1 P68400 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ GSK3B P49841 6/20 0.36
▸ TTK P33981 3/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CDK2 P24941 4/20 0.34
▸ CDK7 P50613 2/20 0.34
▸ CCNE1 P24864 1/20 0.34

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
SCHEMBL11930885 0.94 GSK3B (0.39) KDM4ENPC1RAB9ASMN1; SMN2TYK2
SCHEMBL11930888 0.88 KDM4E (0.45) KDM4EMEN1NPC1ALDH1A1HPGD
SCHEMBL11930881 0.85 KDM4E (0.41) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL14542867 0.85 KDM4E (0.41) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL11930886 0.84 GSK3B (0.41) GSK3BTTKCYP3A4CDK2CDK7
SCHEMBL11930887 0.83 GSK3B (0.38) KDM4ENPC1RAB9AMAPTGSK3B
SCHEMBL12954276 0.83 TTK (0.46) GSK3BTTKCYP3A4CDK2CDK7
SCHEMBL12954035 0.83 GSK3B (0.41) GSK3BTTKCYP3A4CDK2CDK7
SCHEMBL14412430 0.80 CDK2 (0.53) GSK3BCDK2CDK7CCNE1CCNH
SCHEMBL12954352 0.79 GSK3B (0.40) KDM4ENPC1ALDH1A1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1942900-B1 USE OF PYRAZOLO [1,5-A] PYRIMIDINE DERIVATIVES FOR INHIBITING KINASES METHODS FOR INHIBITING PROTEIN KINASES MERCK SHARP & DOHME (US) 2015-06-03 — — EP disclosed
US-8211854-B2 Methods for inhibiting protein kinases SCHERING CORPORATION (US) 2012-07-03 — — US disclosed
US-8211854-B2 Methods for inhibiting protein kinases SCHERING CORPORATION (US) 2012-07-03 — — US disclosed
US-20100125068-A1 METHODS FOR INHIBITING PROTEIN KINASES SCHERING CORPORATION 2010-05-20 — — US disclosed
US-20100125068-A1 METHODS FOR INHIBITING PROTEIN KINASES SCHERING CORPORATION 2010-05-20 — — US disclosed
WO-2007044441-A2 USE OF PYRAZOLO [1 , 5 -A] PYRIMIDINE DERIVATIVES FOR INHIBITING PROTEIN KINASES METHODS FOR INHIBITING PROTEIN KINASES SCHERING CORPORATION (US) 2007-04-19 — — WO disclosed
US-20070082900-A1 Methods for inhibiting protein kinases SCHERING CORPORATION 2007-04-12 — — US disclosed
US-20070082900-A1 Methods for inhibiting protein kinases SCHERING CORPORATION 2007-04-12 — — 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 (2 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-20070082900-A1 Methods for inhibiting protein kinases PIM1, AURKC, PIM3 KDM4E 1092/4885MEN1 2806/4885NPC1 2445/4885
US-20100125068-A1 METHODS FOR INHIBITING PROTEIN KINASES PIM1, AURKC, PIM3 KDM4E 1092/4885MEN1 2806/4885NPC1 2445/4885

“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.

Send feedback