SCHEMBL2735356

SCHEMBL2735356

O=C(Nc1c(Cl)cccc1Cl)c1nc[nH]c1C(=O)Nc1nc2ccc(Cl)cc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.50
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HRH4 Q9H3N8 1/20 0.44
LPAR2 Q9HBW0 1/20 0.44
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 2/20 0.42
KLF5 Q13887 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NTSR1 P30989 1/20 0.42
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
MET P08581 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
CDK9 P50750 1/20 0.42

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
SCHEMBL2735357 0.93 IRAK4 (0.46) IRAK4NPC1RAB9AMEN1KMT2A
SCHEMBL2735344 0.89 NPC1 (0.52) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL214392 0.83 RPS6KA2 (0.46) NPC1RAB9AMEN1KMT2AHRH4
SCHEMBL213580 0.83 LMNA (0.47) IRAK4MEN1KMT2AKDM4EMAPT
SCHEMBL2735347 0.82 NPC1 (0.53) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL2759975 0.82 SMN1; SMN2 (0.50) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL215460 0.81 LMNA (0.46) KDM4ESMN1; SMN2POLBTUBB4ATUBB
SCHEMBL2735330 0.81 NPC1 (0.54) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL2735425 0.81 MAPT (0.46) IRAK4NPC1RAB9AMEN1KMT2A
SCHEMBL214860 0.81 LMNA (0.45) KDM4ESMN1; SMN2POLBTUBB4ATUBB

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-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
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 IRAK4 98/4885NPC1 3307/4885RAB9A 2213/4885

“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.