SCHEMBL2735362

SCHEMBL2735362

COc1cccc(F)c1NC(=O)c1nc[nH]c1C(=O)Nc1nc2ccccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 13/20 0.55
RAB9A P51151 13/20 0.55
PKM P14618 6/20 0.55
HSP90AA1 P07900 2/20 0.55
PAX8 Q06710 1/20 0.55
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
CYP1A2 P05177 1/20 0.53
SMN1; SMN2 Q16637 6/20 0.50
TP53 P04637 4/20 0.50
LMNA P02545 3/20 0.50
GAA P10253 1/20 0.50
USP2 O75604 1/20 0.50
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
POLB P06746 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
KLF5 Q13887 1/20 0.48

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
SCHEMBL2735378 0.93 RAB9A (0.60) NPC1RAB9APKMHSP90AA1PAX8
SCHEMBL2735343 0.91 NPC1 (0.58) NPC1RAB9APKMMEN1KMT2A
SCHEMBL2735345 0.90 RAB9A (0.56) NPC1RAB9APKMHSP90AA1PAX8
SCHEMBL2759984 0.88 NPC1 (0.53) NPC1RAB9APKMMEN1KMT2A
SCHEMBL2735377 0.87 NPC1 (0.54) NPC1RAB9APKMMEN1KMT2A
SCHEMBL2735347 0.86 NPC1 (0.53) NPC1RAB9APKMMEN1KMT2A
SCHEMBL2735316 0.85 KMT2A (0.53) MEN1KMT2AALDH1A1HPGDCYP1A2
SCHEMBL214740 0.83 NPC1 (0.63) NPC1RAB9APKMMEN1KMT2A
SCHEMBL216809 0.83 RAB9A (0.52) NPC1RAB9APKMMEN1KMT2A
SCHEMBL2735298 0.81 KMT2A (0.67) NPC1RAB9APKMHSP90AA1PAX8

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 2213/4885PKM 934/4885

“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.