SCHEMBL213375

SCHEMBL213375

CCN1CCC(Oc2ccc(NC(=O)c3ncn(-c4nc5ccccc5[nH]4)c3C(N)=O)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
POLB P06746 2/20 0.43
CSF1R P07333 2/20 0.40
FLT3 P36888 2/20 0.40
PDGFRB P09619 1/20 0.40
KIT P10721 1/20 0.40
PDGFRA P16234 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
LMNA P02545 1/20 0.39
CHEK2 O96017 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PARP1 P09874 1/20 0.39
DYRK1A Q13627 2/20 0.38
CLK2 P49760 1/20 0.38
CLK3 P49761 1/20 0.38
KDM1A O60341 3/20 0.38
RCOR1 Q9UKL0 1/20 0.38
GSK3B P49841 1/20 0.37

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
SCHEMBL217126 0.90 MAPT (0.41) MAPTPOLBPDGFRAHRH3LMNA
SCHEMBL213716 0.88 MAPT (0.44) MAPTPOLBCSF1RFLT3LMNA
Hydrochloric Acid SCHEMBL216264 0.87 MAPT (0.43) MAPTPOLBCSF1RFLT3LMNA
SCHEMBL216561 0.83 MAPT (0.49) MAPTPOLBFLT3SMN1; SMN2
SCHEMBL214778 0.82 CHEK2 (0.47) MAPTFLT3KITHRH3CHEK2
SCHEMBL216069 0.81 MPO (0.47) MAPTFLT3LMNASMN1; SMN2
SCHEMBL215754 0.79 KDM1A (0.42) MAPTPOLBHRH3LMNACHEK2
Hydrochloric Acid SCHEMBL213648 0.78 KDM1A (0.42) MAPTHRH3CHEK2KDM1ARCOR1
SCHEMBL2735352 0.77 MAPT (0.44) MAPTPOLBCSF1RFLT3PDGFRB
SCHEMBL216364 0.76 NTRK1 (0.49) MAPTPOLBFLT3PDGFRBPDGFRA

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-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US 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 MAPT 2138/4885POLB 3464/4885CSF1R 631/4885

“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.