SCHEMBL2735281

SCHEMBL2735281

O=C(Nc1ccccc1C(F)(F)F)c1nc[nH]c1C(=O)Nc1nc2ccccc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.48
RAB9A P51151 6/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
CYP1A2 P05177 1/20 0.47
PKM P14618 3/20 0.47
MAOB P27338 1/20 0.47
ADORA2A P29274 1/20 0.47
MTOR P42345 2/20 0.47
TP53 P04637 2/20 0.47
GAA P10253 2/20 0.47
LMNA P02545 2/20 0.47
HSD17B10 Q99714 1/20 0.47
POLB P06746 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 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
SCHEMBL2735310 0.90 MEN1 (0.50) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL214740 0.87 NPC1 (0.63) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL2735318 0.85 MEN1 (0.55) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL2735272 0.85 ALDH1A1 (0.54) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL2735268 0.85 GAA (0.65) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL213249 0.85 NPC1 (0.50) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL2735295 0.84 MEN1 (0.50) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL14222681 0.83 MEN1 (0.48) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL2735350 0.83 NPC1 (0.51) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL213527 0.83 RAB9A (0.61) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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 3 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-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.