SCHEMBL215286

SCHEMBL215286

Cc1cc(OCCN2CCOCC2)ccc1N(C(=O)c1nc[nH]c1C(N)=O)c1nc2ccccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.46
PDGFRB P09619 2/20 0.43
PDGFRA P16234 1/20 0.43
FGFR1 P11362 2/20 0.43
KDR P35968 1/20 0.43
DRD3 P35462 6/20 0.41
DRD2 P14416 4/20 0.41
CHUK O15111 3/20 0.41
INSR P06213 3/20 0.41
MAPK8 P45983 3/20 0.41
CAMKK2 Q96RR4 3/20 0.41
ACHE P22303 1/20 0.40
NPC1 O15118 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
JAK2 O60674 1/20 0.39
FGFR2 P21802 1/20 0.39
FGFR3 P22607 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
SCHEMBL214317 0.96 LTA4H (0.41) LTA4HPDGFRBPDGFRAFGFR1KDR
SCHEMBL213324 0.92 LTA4H (0.46) LTA4HPDGFRBPDGFRAFGFR1KDR
SCHEMBL214367 0.85 FAAH (0.40) PDGFRBFGFR1KDRNPC1RAB9A
SCHEMBL213394 0.83 POLB (0.48) DRD3DRD2NPC1KDM4EALDH1A1
SCHEMBL214670 0.83 POLB (0.36) KMT2A
SCHEMBL217127 0.82 HRH3 (0.37) PDGFRAFGFR1KDRDRD3
SCHEMBL213794 0.81 POLB (0.38) NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL214779 0.81 CHEK2 (0.47) ACHESMN1; SMN2
Hydrochloric Acid SCHEMBL215094 0.80 POLB (0.37) ALDH1A1
SCHEMBL217227 0.80 POLB (0.37) CHUKNPC1KDM4EALDH1A1RAB9A

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 LTA4H 2740/4885PDGFRB 228/4885PDGFRA 302/4885

“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.