SCHEMBL214317

SCHEMBL214317

Cc1cc(OCCCN2CCOCC2)ccc1N(C(=O)c1nc[nH]c1C(N)=O)c1nc2ccccc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.41
PDGFRB P09619 2/20 0.40
FGFR1 P11362 1/20 0.40
KDR P35968 1/20 0.40
PDGFRA P16234 1/20 0.40
TRPV4 Q9HBA0 1/20 0.39
DHODH Q02127 1/20 0.39
DRD3 P35462 4/20 0.38
DRD2 P14416 2/20 0.38
CHUK O15111 1/20 0.38
INSR P06213 1/20 0.38
MAPK8 P45983 1/20 0.38
CAMKK2 Q96RR4 1/20 0.38
AVPR1B P47901 3/20 0.38
HRH3 Q9Y5N1 3/20 0.38

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
SCHEMBL215286 0.96 LTA4H (0.46) LTA4HPDGFRBFGFR1KDRPDGFRA
SCHEMBL213324 0.88 LTA4H (0.46) LTA4HPDGFRBFGFR1KDRPDGFRA
SCHEMBL214367 0.84 FAAH (0.40) PDGFRBFGFR1KDR
SCHEMBL213394 0.83 POLB (0.48) DRD3DRD2
SCHEMBL216429 0.82 MEN1 (0.36) LTA4HTRPV4DRD3DRD2AVPR1B
SCHEMBL214670 0.82 POLB (0.36)
SCHEMBL217127 0.82 HRH3 (0.37) FGFR1KDRPDGFRADRD3HRH3
Hydrochloric Acid SCHEMBL214533 0.82 MEN1 (0.36) LTA4HTRPV4DRD3DRD2AVPR1B
SCHEMBL214094 0.81 DRD3 (0.40) LTA4HDRD3DRD2HRH3
SCHEMBL213794 0.80 POLB (0.38)

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 LTA4H 2740/4885PDGFRB 228/4885FGFR1 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.