SCHEMBL217126

SCHEMBL217126

CCN1CCC(Oc2ccc(NC(=O)c3ncn(-c4nc5ccccc5[nH]4)c3C(N)=O)c(C)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
HRH3 Q9Y5N1 7/20 0.41
KDM1A O60341 3/20 0.39
RCOR1 Q9UKL0 1/20 0.39
TP53 P04637 1/20 0.38
CHEK2 O96017 1/20 0.37
PARP1 P09874 1/20 0.37
POLB P06746 2/20 0.36
LMNA P02545 1/20 0.36
FGFR1 P11362 1/20 0.36
PDGFRA P16234 1/20 0.36
FLT1 P17948 1/20 0.36
KDR P35968 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
SCHEMBL214778 0.92 CHEK2 (0.47) MAPTHRH3KDM1ACHEK2
SCHEMBL213375 0.90 MAPT (0.48) MAPTHRH3KDM1ARCOR1CHEK2
SCHEMBL215754 0.90 KDM1A (0.42) MAPTHRH3KDM1ARCOR1TP53
Hydrochloric Acid SCHEMBL213648 0.89 KDM1A (0.42) MAPTHRH3KDM1ARCOR1TP53
SCHEMBL213393 0.84 MAPT (0.46) MAPTLMNA
SCHEMBL214143 0.84 KDM1A (0.42) MAPTKDM1ARCOR1TP53CHEK2
SCHEMBL215285 0.82 LTA4H (0.46) FGFR1PDGFRAKDR
SCHEMBL214316 0.81 BTK (0.42) FGFR1PDGFRAKDR
SCHEMBL217226 0.81 MEN1 (0.48) MAPTTP53POLBLMNA
SCHEMBL216140 0.80 CHEK2 (0.41) MAPTKDM1ATP53CHEK2

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 6 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
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 2138/4885HRH3 1553/4885KDM1A 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.