SCHEMBL1298360

SCHEMBL1298360

O=C(c1ccc(F)cc1)c1nc(Cl)n2c(F)ccc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.40
F2 P00734 1/20 0.36
PLAU P00749 1/20 0.36
KLKB1 P03952 1/20 0.36
ELANE P08246 1/20 0.36
NPC1 O15118 6/20 0.36
RAB9A P51151 6/20 0.36
TP53 P04637 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL1298321 0.77 SMN1; SMN2 (0.44) LTA4HNPC1RAB9AALDH1A1MAPT
SCHEMBL1299293 0.72 KMT2A (0.38) LTA4HF2NPC1RAB9AALDH1A1
SCHEMBL1298385 0.69 AURKA (0.49) NPC1RAB9ATP53SMN1; SMN2CDK2
SCHEMBL164944 0.65 AURKA (0.41) LTA4HNPC1MAPTKDM4ETSHR
SCHEMBL164973 0.65 DHODH (0.41) LTA4HNPC1ALDH1A1KDM4ERXFP1
SCHEMBL164536 0.65 NPC1 (0.49) LTA4HNPC1RAB9ATP53ALDH1A1
SCHEMBL159829 0.65 KDM4E (0.53) LTA4HTP53ALDH1A1MAPTNPSR1
SCHEMBL238259 0.64 LTA4H (0.73) LTA4HNPC1RAB9ATP53ALDH1A1
SCHEMBL8572071 0.64 LTA4H (0.73) LTA4HNPC1RAB9ATP53ALDH1A1
SCHEMBL1736339 0.64 LTA4H (0.73) LTA4HNPC1RAB9ATP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269740-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION 2011-11-03 US disclosed
WO-2010002472-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2010-01-07 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-20110269740-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 LTA4H 2437/4885F2 2410/4885PLAU 2157/4885

“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.