SCHEMBL3559664

SCHEMBL3559664

O=C(O)c1cc(I)cc(F)c1NC1CCC(O)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 6/20 0.36
MAP2K2 P36507 2/20 0.36
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
ROCK2 O75116 1/20 0.35
IDO1 P14902 1/20 0.35
MELK Q14680 1/20 0.34
TRIM24 O15164 1/20 0.33
BRD4 O60885 1/20 0.33
BRD1 O95696 1/20 0.33
CHRNA1 P02708 1/20 0.33
CCL2 P13500 1/20 0.33
TAF1 P21675 1/20 0.33
ACHE P22303 1/20 0.33
BRD2 P25440 1/20 0.33
HTR1D P28221 1/20 0.33
ADORA2A P29274 1/20 0.33
SMARCA2 P51531 1/20 0.33
SMARCA4 P51532 1/20 0.33
BRPF1 P55201 1/20 0.33

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
SCHEMBL13342485 1.00 MAP2K1 (0.36) MAP2K1MAP2K2PIM1PIM2ROCK2
SCHEMBL3489906 0.85 CXCR2 (0.37) MAP2K1MAP2K2ROCK2MELKHSP90AA1
SCHEMBL12343613 0.85 CXCR2 (0.37) MAP2K1MAP2K2ROCK2MELKHSP90AA1
SCHEMBL4509485 0.70 POLB (0.46) MAP2K1ROCK2MELKHPGDEPHX2
SCHEMBL17766581 0.68 ROCK2 (0.48) ROCK2HSP90AA1
SCHEMBL1643522 0.67 CD38 (0.39) BRD4BRD2EP300BRD3BRDT
SCHEMBL1643523 0.67 CD38 (0.39) BRD4BRD2EP300BRD3BRDT
SCHEMBL17705944 0.67 CD38 (0.39) BRD4BRD2EP300BRD3BRDT
SCHEMBL4511114 0.66 ROCK2 (0.56) ROCK2HPGD
SCHEMBL1044811 0.66 MAP2K1 (0.45) MAP2K1MAP2K2IDO1

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-7709645-B2 Pyrrolo-pyridine kinase modulators SGX PHARMACEUTICALS, INC. (US) 2010-05-04 US disclosed
EP-2134343-A2 PYRROLO-PYRIDINE KINASE MODULATORS SGX Pharmaceuticals, Inc. (US) 2009-12-23 EP disclosed
US-20090143352-A1 PYRROLO-PYRIDINE KINASE MODULATIORS SGX PHARMACEUTICALS, INC. (US) 2009-06-04 US disclosed
WO-2008124849-A2 PYRROLO-PYRIDINE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-10-16 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-20090143352-A1 PYRROLO-PYRIDINE KINASE MODULATIORS MAP4K2, PDXK, MAP4K1 MAP2K1 352/4885MAP2K2 153/4885PIM1 296/4885

“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.