SCHEMBL13168643

SCHEMBL13168643

CCCOCn1nc(C)c2c(Cl)cc(CC)cc21

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 1/20 0.32
▸ CSF1R P07333 1/20 0.32
▸ PIM1 P11309 1/20 0.32
▸ MAPK8 P45983 1/20 0.32
▸ MAPK9 P45984 1/20 0.32
▸ CLK2 P49760 1/20 0.32
▸ MAPK10 P53779 1/20 0.32
▸ MAP4K2 Q12851 1/20 0.32
▸ MINK1 Q8N4C8 1/20 0.32
▸ CLK4 Q9HAZ1 1/20 0.32
▸ MAP4K5 Q9Y4K4 1/20 0.32
▸ ADORA2A P29274 1/20 0.31
▸ ADORA2B P29275 1/20 0.31
▸ PDE5A O76074 2/20 0.31
▸ SLC22A12 Q96S37 2/20 0.31
▸ KMT2A Q03164 3/20 0.30
▸ MEN1 O00255 2/20 0.30
▸ HPGD P15428 2/20 0.30
▸ SMN1; SMN2 Q16637 2/20 0.30
▸ EGFR P00533 1/20 0.30

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
SCHEMBL13168639 0.85 ADORA2A (0.32) ADORA2AADORA2B
SCHEMBL13131395 0.78 REN (0.45) ADORA2AADORA2BKMT2A
SCHEMBL13168787 0.76 ADORA2A (0.42) ADORA2AADORA2BSLC22A12
SCHEMBL13168862 0.75 PDE1A (0.32) —
SCHEMBL13131392 0.65 REN (0.35) KMT2A
SCHEMBL13131393 0.63 REN (0.42) ADORA2AADORA2BHPGDKDM4EALDH1A1
SCHEMBL19970147 0.62 — —
SCHEMBL11938831 0.62 PTGER4 (0.40) MAP4K4CSF1RPIM1MAPK8MAPK9
SCHEMBL13169033 0.62 SLC22A12 (0.39) SLC22A12
SCHEMBL13168765 0.62 ALOX15 (0.41) SLC22A12KMT2AMEN1HPGDKDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240644-A1 MORPHOLINE DERIVATIVE SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2010-09-23 — — US 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-20100240644-A1 MORPHOLINE DERIVATIVE REN, AGTR1, AGTR2 MAP4K4 82/4885CSF1R 3788/4885PIM1 1929/4885

“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.

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