SCHEMBL216286

SCHEMBL216286

COc1cccc2[nH]c(-n3cnc(C(=O)Nc4ccc(OC5CCNCC5)cc4C)c3C(N)=O)nc12

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 6/20 0.38
HSP90AB1 P08238 4/20 0.38
KDM1A O60341 5/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
ADORA2A P29274 1/20 0.37
IGF1R P08069 2/20 0.36
CCR8 P51685 1/20 0.36
MAPT P10636 1/20 0.36
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
WNT1 P04628 1/20 0.35
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
KCNH2 Q12809 1/20 0.35
RCOR1 Q9UKL0 1/20 0.35
TTK P33981 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
SCHEMBL215754 0.88 KDM1A (0.42) TOP2AHSP90AB1KDM1AMAOAIGF1R
Hydrochloric Acid SCHEMBL213648 0.87 KDM1A (0.42) TOP2AHSP90AB1KDM1AMAOAIGF1R
SCHEMBL216140 0.83 CHEK2 (0.41) TOP2AHSP90AB1KDM1AMAPTWNT1
SCHEMBL214143 0.83 KDM1A (0.42) TOP2AHSP90AB1KDM1AMAOAIGF1R
Hydrochloric Acid SCHEMBL215452 0.83 TOP2A (0.40) TOP2AHSP90AB1KDM1A
SCHEMBL2735373 0.79 ALDH1A1 (0.47) TOP2AHSP90AB1MAOBADORA2AIGF1R
SCHEMBL217126 0.78 MAPT (0.41) KDM1AMAPTRCOR1
SCHEMBL213393 0.78 MAPT (0.46) MAPT
SCHEMBL214697 0.77 KDM1A (0.42) KDM1AMAOAMAPTWNT1GSK3B
SCHEMBL214778 0.77 CHEK2 (0.47) KDM1AMAOAMAOBMAPT

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
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US claimed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US claimed
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP claimed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 WO claimed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP disclosed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 TOP2A 1957/4885HSP90AB1 1319/4885KDM1A 963/4885

“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.