SCHEMBL2735341

SCHEMBL2735341

O=C(Nc1ccc(Cl)cc1F)c1nc[nH]c1C(=O)Nc1nc2ccccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.53
RAB9A P51151 10/20 0.53
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
PKM P14618 3/20 0.50
POLB P06746 2/20 0.50
TP53 P04637 2/20 0.50
KLF5 Q13887 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 1/20 0.47
IRAK4 Q9NWZ3 1/20 0.47
ABCB1 P08183 1/20 0.46

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
SCHEMBL214896 0.90 NPC1 (0.52) NPC1RAB9AMEN1KMT2APKM
SCHEMBL2735348 0.90 NPC1 (0.52) NPC1RAB9AMEN1KMT2APKM
SCHEMBL2735330 0.89 NPC1 (0.54) NPC1RAB9AMEN1KMT2APKM
SCHEMBL214740 0.89 NPC1 (0.63) NPC1RAB9AMEN1KMT2APKM
SCHEMBL2735267 0.88 NPC1 (0.52) NPC1RAB9AMEN1KMT2APKM
SCHEMBL2735423 0.86 RAB9A (0.50) NPC1RAB9AMEN1KMT2APKM
SCHEMBL2735353 0.85 RAB9A (0.64) NPC1RAB9AMEN1KMT2APKM
SCHEMBL213456 0.85 NPC1 (0.50) NPC1RAB9AMEN1KMT2APKM
SCHEMBL2735343 0.83 NPC1 (0.58) NPC1RAB9AMEN1KMT2APKM
SCHEMBL2735347 0.83 NPC1 (0.53) NPC1RAB9AMEN1KMT2APKM

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 NPC1 3307/4885RAB9A 2213/4885MEN1 3504/4885

“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.