SCHEMBL2735322

SCHEMBL2735322

O=C(Nc1ccccc1Cl)c1nc[nH]c1C(=O)Nc1nc2ccccc2s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.53
RAB9A P51151 6/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
KDM4E B2RXH2 2/20 0.53
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
CASP3 P42574 5/20 0.53
SENP8 Q96LD8 5/20 0.53
SENP7 Q9BQF6 5/20 0.53
SENP6 Q9GZR1 5/20 0.53
DHODH Q02127 2/20 0.50
ALDH1A1 P00352 3/20 0.49
HPGD P15428 2/20 0.49
CYP1A2 P05177 1/20 0.49
PKM P14618 1/20 0.48
HTT P42858 1/20 0.48
GAA P10253 2/20 0.47
UBE2N P61088 1/20 0.46
POLB P06746 1/20 0.46
TDP1 Q9NUW8 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
SCHEMBL2735321 0.82 NPC1 (0.54) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL21568165 0.77 KMT2A (0.67) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL4915916 0.73 RAB9A (0.83) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL4912955 0.73 DHODH (0.76) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL2735273 0.71 RAB9A (0.49) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL27259424 0.71 KMT2A (0.54) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL30945507 0.70 RAB9A (0.51) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL6688359 0.70 CNR1 (0.68) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL2735283 0.70 SMN1; SMN2 (0.52) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL4917553 0.70 NPC1 (1.00) NPC1RAB9ASMN1; SMN2KDM4EMEN1

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 5 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
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 NPC1 3307/4885RAB9A 2213/4885SMN1; SMN2 2516/4885

“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.