SCHEMBL214316

SCHEMBL214316

Cc1cc(OCCCN2CCOCC2)ccc1NC(=O)c1ncn(-c2nc3ccccc3[nH]2)c1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.42
LTA4H P09960 1/20 0.42
FGFR1 P11362 2/20 0.41
SRC P12931 2/20 0.41
EPHX2 P34913 2/20 0.40
KDR P35968 2/20 0.40
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
CHUK O15111 1/20 0.40
INSR P06213 1/20 0.40
MAPK8 P45983 1/20 0.40
CAMKK2 Q96RR4 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
HSD17B10 Q99714 1/20 0.40
DHODH Q02127 1/20 0.39
HDAC1 Q13547 1/20 0.39
AVPR1B P47901 1/20 0.39

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
SCHEMBL215285 0.96 LTA4H (0.46) LTA4HFGFR1SRCKDRPDGFRB
SCHEMBL213323 0.89 LTA4H (0.46) LTA4HFGFR1SRCEPHX2KDR
SCHEMBL214366 0.84 FAAH (0.44) GAAHSD17B10
SCHEMBL213393 0.83 MAPT (0.46) KDM4EGAAHSD17B10
SCHEMBL216428 0.83 ITGB3 (0.38) LTA4HAVPR1B
SCHEMBL214669 0.83 MAPT (0.39) EPHX2
Hydrochloric Acid SCHEMBL214532 0.82 ITGB3 (0.39) LTA4HAVPR1B
SCHEMBL217126 0.81 MAPT (0.41) FGFR1KDRPDGFRA
SCHEMBL214093 0.81 DRD3 (0.40) GAAHDAC1
SCHEMBL216607 0.80 TSHR (0.51) KDM4EGAAHSD17B10

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 BTK 14/4885LTA4H 2740/4885FGFR1 708/4885

“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.