SCHEMBL2208599

SCHEMBL2208599

COC(=O)c1nc2n(c(=O)c1O)CCN(C(=O)OC(C)(C)C)CC2N(C)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.49
JAK1 P23458 1/20 0.49
ALDH1A1 P00352 2/20 0.43
HSP90AA1 P07900 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ACHE P22303 1/20 0.39
NR1H2 P55055 1/20 0.38
GPR119 Q8TDV5 2/20 0.37
STS P08842 1/20 0.37
BRD4 O60885 1/20 0.37
USP30 Q70CQ3 2/20 0.36
RNASEH1 O60930 1/20 0.36
TLR9 Q9NR96 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
PRMT5 O14744 1/20 0.36
HSD11B1 P28845 1/20 0.36
HTR6 P50406 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
SCHEMBL2202249 0.86 ALDH1A1 (0.43) JAK2JAK1ALDH1A1HSP90AA1MAPT
SCHEMBL2206742 0.84 ALDH1A1 (0.42) JAK2JAK1ALDH1A1HSP90AA1MAPT
Hydrochloric Acid SCHEMBL1751097 0.82 KCNH2 (0.47) JAK2JAK1ALDH1A1HSP90AA1MAPT
SCHEMBL2208594 0.70 NR1H2 (0.44) ALDH1A1MAPTHTTSMN1; SMN2NR1H2
SCHEMBL8111282 0.70 JAK2 (0.78) JAK2JAK1GPR119STSUSP30
SCHEMBL8111279 0.70 JAK2 (0.78) JAK2JAK1GPR119STSUSP30
SCHEMBL122482 0.69 JAK2 (0.70) JAK2JAK1GPR119STSUSP30
SCHEMBL2207925 0.69 CYP2C9 (0.55) MAPTHTTSMN1; SMN2
SCHEMBL22078877 0.68 ALDH1A1 (0.41) JAK2JAK1ALDH1A1MAPTUSP30
SCHEMBL20281450 0.68 JAK2 (0.72) JAK2JAK1GPR119STSUSP30

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-20110257162-A1 HIV INTEGRASE INHIBITORS SUMMA VINCENZO 2011-10-20 US disclosed
US-7981879-B2 HIV integrase inhibitors Instituto di Ricerchi di Biologia Molecolare P. Angeletti S.p.A. (IT) 2011-07-19 US disclosed
US-20090253681-A1 HIV Integrase Inhibitors MSD ITALIA S.R.L. (IT) 2009-10-08 US disclosed
EP-1866313-A1 HIV INTEGRASE INHIBITORS Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2007-12-19 EP disclosed
WO-2006103399-A1 HIV INTEGRASE INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2006-10-05 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 (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-20110257162-A1 HIV INTEGRASE INHIBITORS REV1, CDK9, INTS9 JAK2 3132/4885JAK1 1555/4885ALDH1A1 4016/4885
US-20090253681-A1 HIV Integrase Inhibitors REV1, INTS9, H1-10 JAK2 3018/4885JAK1 2179/4885ALDH1A1 4120/4885

“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.