SCHEMBL1298941

SCHEMBL1298941

O=C(c1ccc(F)cc1)c1nc(Cl)n2cc(Br)cc2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.36
F2 P00734 1/20 0.35
PLAU P00749 1/20 0.35
KLKB1 P03952 1/20 0.35
ELANE P08246 1/20 0.35
NPC1 O15118 4/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ATM Q13315 1/20 0.34
MAPT P10636 3/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
PKM P14618 1/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
GRM5 P41594 1/20 0.34
HDAC3 O15379 2/20 0.33
HDAC1 Q13547 2/20 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
SCHEMBL1298321 0.77 SMN1; SMN2 (0.44) LTA4HNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL1298360 0.74 LTA4H (0.40) LTA4HF2PLAUKLKB1ELANE
SCHEMBL1298009 0.73 AURKA (0.46) NPC1RAB9ASMN1; SMN2ATMCDK2
SCHEMBL162042 0.68 AURKA (0.38) LTA4HNPC1MAPTKDM4EGRM5
SCHEMBL3921915 0.67 HTT (0.30)
SCHEMBL4512166 0.67 HTR7 (0.39)
SCHEMBL1298531 0.67 KMT2A (0.46) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL164944 0.63 AURKA (0.41) LTA4HNPC1MAPTKDM4EGRM5
SCHEMBL164536 0.63 NPC1 (0.49) LTA4HNPC1RAB9ASMN1; SMN2ATM
SCHEMBL164973 0.63 DHODH (0.41) LTA4HNPC1KDM4EALDH1A1HDAC3

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.