SCHEMBL215754

SCHEMBL215754

Cc1cc(OC2CCNCC2)ccc1NC(=O)c1ncn(-c2nc3ccccc3[nH]2)c1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 7/20 0.42
CHEK2 O96017 1/20 0.39
IGF1R P08069 1/20 0.39
TP53 P04637 1/20 0.38
HSP90AB1 P08238 2/20 0.38
TOP2A P11388 2/20 0.38
MAPT P10636 2/20 0.38
MAOA P21397 1/20 0.37
RCOR1 Q9UKL0 2/20 0.37
PLK1 P53350 1/20 0.37
PLK3 Q9H4B4 1/20 0.37
PIM1 P11309 1/20 0.37
PIM3 Q86V86 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
WNT1 P04628 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
Hydrochloric Acid SCHEMBL213648 0.99 KDM1A (0.42) KDM1ACHEK2IGF1RTP53HSP90AB1
SCHEMBL214143 0.95 KDM1A (0.42) KDM1ACHEK2IGF1RTP53HSP90AB1
SCHEMBL216140 0.90 CHEK2 (0.41) KDM1ACHEK2TP53HSP90AB1TOP2A
Hydrochloric Acid SCHEMBL215452 0.90 TOP2A (0.40) KDM1ACHEK2TP53HSP90AB1TOP2A
SCHEMBL217126 0.90 MAPT (0.41) KDM1ACHEK2TP53MAPTRCOR1
SCHEMBL214697 0.89 KDM1A (0.42) KDM1ACHEK2TP53MAPTMAOA
SCHEMBL216286 0.88 TOP2A (0.38) KDM1AIGF1RHSP90AB1TOP2AMAPT
SCHEMBL213716 0.88 MAPT (0.44) KDM1ACHEK2MAPTRCOR1GSK3B
SCHEMBL214778 0.88 CHEK2 (0.47) KDM1ACHEK2MAPTMAOAPLK1
Hydrochloric Acid SCHEMBL216264 0.87 MAPT (0.43) KDM1ACHEK2MAPTRCOR1GSK3B

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 4 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 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 KDM1A 963/4885CHEK2 412/4885IGF1R 1340/4885

“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.